CID 135410708

Nsc106424

Structural Information

Molecular Formula
C31H30N10O4
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)NNC(=O)CCCC(=O)NNC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C31H30N10O4/c42-28(38-40-30(44)32-22-14-18-26(19-15-22)36-34-24-8-3-1-4-9-24)12-7-13-29(43)39-41-31(45)33-23-16-20-27(21-17-23)37-35-25-10-5-2-6-11-25/h1-6,8-11,14-21H,7,12-13H2,(H,38,42)(H,39,43)(H2,32,40,44)(H2,33,41,45)
InChIKey
MDZWYGQIQIDIIM-UHFFFAOYSA-N
Compound name
1-[[5-oxo-5-[2-[(4-phenyldiazenylphenyl)carbamoyl]hydrazinyl]pentanoyl]amino]-3-(4-phenyldiazenylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.2452 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.25248 231.3
[M+Na]+ 629.23442 227.9
[M-H]- 605.23792 246.5
[M+NH4]+ 624.27902 231.4
[M+K]+ 645.20836 228.2
[M+H-H2O]+ 589.24246 215.8
[M+HCOO]- 651.24340 264.6
[M+CH3COO]- 665.25905 287.2
[M+Na-2H]- 627.21987 239.4
[M]+ 606.24465 230.4
[M]- 606.24575 230.4
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.