CID 3069197

Brn 5653727

Structural Information

Molecular Formula
C19H21N5O3S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CNNC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C19H21N5O3S/c20-12(9-10-17(21)25)19(27)23-22-11-18(26)24-13-5-1-3-7-15(13)28-16-8-4-2-6-14(16)24/h1-8,12,22H,9-11,20H2,(H2,21,25)(H,23,27)/t12-/m0/s1
InChIKey
HLOHLFJCEVJDHP-LBPRGKRZSA-N
Compound name
(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1365 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.143776 185.3
[M+Na]+ 422.125718 187.4
[M-H]- 398.129224 186.6
[M+NH4]+ 417.170323 194.9
[M+K]+ 438.099658 183.4
[M+H-H2O]+ 382.133760 176.9
[M+HCOO]- 444.134701 198.0
[M+CH3COO]- 458.150351 231.5
[M+Na-2H]- 420.111166 188.0
[M]+ 399.13595142 183.5
[M]- 399.13704858 183.5
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.