CID 377943

Nsc659611

Structural Information

Molecular Formula
C28H24BrN5O3S
SMILES
C1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4
InChI
InChI=1S/C28H24BrN5O3S/c29-19-11-13-21(14-12-19)31-32-22-15-16-25(35)24(17-22)28(38-23-9-5-2-6-10-23)34-33-27(37)18-26(36)30-20-7-3-1-4-8-20/h1-17,28,34-35H,18H2,(H,30,36)(H,33,37)
InChIKey
BLPOTYOCUHPVBJ-UHFFFAOYSA-N
Compound name
3-[2-[[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.0783 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.08558 216.9
[M+Na]+ 612.06752 219.7
[M-H]- 588.07102 230.1
[M+NH4]+ 607.11212 221.9
[M+K]+ 628.04146 206.8
[M+H-H2O]+ 572.07556 209.8
[M+HCOO]- 634.07650 235.2
[M+CH3COO]- 648.09215 259.4
[M+Na-2H]- 610.05297 221.3
[M]+ 589.07775 234.7
[M]- 589.07885 234.7
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.