CID 377942

Nsc659610

Structural Information

Molecular Formula
C28H23BrClN5O3S
SMILES
C1=CC=C(C=C1)SC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)NNC(=O)CC(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C28H23BrClN5O3S/c29-18-10-12-19(13-11-18)32-33-20-14-15-25(36)22(16-20)28(39-21-6-2-1-3-7-21)35-34-27(38)17-26(37)31-24-9-5-4-8-23(24)30/h1-16,28,35-36H,17H2,(H,31,37)(H,34,38)
InChIKey
XXVOSMFYUWWEIL-UHFFFAOYSA-N
Compound name
3-[2-[[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-chlorophenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.03937 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.04665 223.3
[M+Na]+ 646.02859 227.9
[M-H]- 622.03209 237.0
[M+NH4]+ 641.07319 228.4
[M+K]+ 662.00253 213.8
[M+H-H2O]+ 606.03663 217.3
[M+HCOO]- 668.03757 237.6
[M+CH3COO]- 682.05322 263.5
[M+Na-2H]- 644.01404 226.8
[M]+ 623.03882 244.3
[M]- 623.03992 244.3
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.