CID 377944

Nsc659612

Structural Information

Molecular Formula
C29H26BrN5O4S
SMILES
COC1=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/C29H26BrN5O4S/c1-39-23-14-11-20(12-15-23)31-27(37)18-28(38)34-35-29(40-24-5-3-2-4-6-24)25-17-22(13-16-26(25)36)33-32-21-9-7-19(30)8-10-21/h2-17,29,35-36H,18H2,1H3,(H,31,37)(H,34,38)
InChIKey
FCUNZOSZRXWDAF-UHFFFAOYSA-N
Compound name
3-[2-[[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(4-methoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.08887 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.09615 223.9
[M+Na]+ 642.07809 226.5
[M-H]- 618.08159 237.2
[M+NH4]+ 637.12269 227.8
[M+K]+ 658.05203 214.4
[M+H-H2O]+ 602.08613 216.2
[M+HCOO]- 664.08707 241.9
[M+CH3COO]- 678.10272 265.3
[M+Na-2H]- 640.06354 227.4
[M]+ 619.08832 243.4
[M]- 619.08942 243.4
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.