PubChemLite - Dysidenamide (C15H23Cl6N3O3)

Structural Information

Molecular Formula

SMILES

C[C@@H](C[C@@H](C(=O)N(C)[C@@H](C)C(=O)N)NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C15H23Cl6N3O3/c1-7(14(16,17)18)5-10(13(27)24(4)9(3)12(22)26)23-11(25)6-8(2)15(19,20)21/h7-10H,5-6H2,1-4H3,(H2,22,26)(H,23,25)/t7-,8-,9-,10-/m0/s1

InChIKey

MNDIWUDRDZWGIK-XKNYDFJKSA-N

Compound name

(2S,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-5,5,5-trichloro-N,4-dimethyl-2-[[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]pentanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	503.99434	202.0
[M+Na]+	525.97628	203.1
[M-H]-	501.97978	197.8
[M+NH4]+	521.02088	209.1
[M+K]+	541.95022	200.9
[M+H-H2O]+	485.98432	201.8
[M+HCOO]-	547.98526	189.9
[M+CH3COO]-	562.00091	242.3
[M+Na-2H]-	523.96173	193.1
[M]+	502.98651	200.6
[M]-	502.98761	200.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.99434

202.0

[M+Na]+

525.97628

203.1

[M-H]-

501.97978

197.8

[M+NH4]+

521.02088

209.1

[M+K]+

541.95022

200.9

[M+H-H2O]+

485.98432

201.8

[M+HCOO]-

547.98526

189.9

[M+CH3COO]-

562.00091

242.3

[M+Na-2H]-

523.96173

193.1

[M]+

502.98651

200.6

[M]-

502.98761

200.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dysidenamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe