CID 3059343

76337-92-3

Structural Information

Molecular Formula
C19H19Cl2N3O3
SMILES
C[C@@H](C(=O)NC(=O)CN)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C19H19Cl2N3O3/c1-11(19(27)23-17(25)10-22)24(2)16-8-7-12(20)9-14(16)18(26)13-5-3-4-6-15(13)21/h3-9,11H,10,22H2,1-2H3,(H,23,25,27)/t11-/m0/s1
InChIKey
WFHGUUONQPNYBH-NSHDSACASA-N
Compound name
(2S)-N-(2-aminoacetyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.08035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08763 193.9
[M+Na]+ 430.06957 199.5
[M-H]- 406.07307 200.9
[M+NH4]+ 425.11417 205.4
[M+K]+ 446.04351 195.1
[M+H-H2O]+ 390.07761 187.2
[M+HCOO]- 452.07855 207.6
[M+CH3COO]- 466.09420 232.0
[M+Na-2H]- 428.05502 191.0
[M]+ 407.07980 197.9
[M]- 407.08090 197.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.