CID 262190

Nsc95615

Structural Information

Molecular Formula
C36H40N8O2
SMILES
C1CN(CCN1CCCNC(=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3)CCCNC(=O)C4=CC=C(C=C4)N=NC5=CC=CC=C5
InChI
InChI=1S/C36H40N8O2/c45-35(29-13-17-33(18-14-29)41-39-31-9-3-1-4-10-31)37-21-7-23-43-25-27-44(28-26-43)24-8-22-38-36(46)30-15-19-34(20-16-30)42-40-32-11-5-2-6-12-32/h1-6,9-20H,7-8,21-28H2,(H,37,45)(H,38,46)
InChIKey
OUEDTNAEXPGKON-UHFFFAOYSA-N
Compound name
4-phenyldiazenyl-N-[3-[4-[3-[(4-phenyldiazenylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.3274 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.33468 242.5
[M+Na]+ 639.31662 239.1
[M-H]- 615.32012 256.4
[M+NH4]+ 634.36122 239.7
[M+K]+ 655.29056 233.5
[M+H-H2O]+ 599.32466 224.4
[M+HCOO]- 661.32560 266.1
[M+CH3COO]- 675.34125 282.9
[M+Na-2H]- 637.30207 246.5
[M]+ 616.32685 240.0
[M]- 616.32795 240.0
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.