CID 135599777

Brn 4216722

Structural Information

Molecular Formula
C25H25ClN6O
SMILES
C1CN(CCN1CC(=O)N/N=C(/C2=CC=CC=C2)\N=NC3=CC(=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H25ClN6O/c26-21-10-7-11-22(18-21)27-29-25(20-8-3-1-4-9-20)30-28-24(33)19-31-14-16-32(17-15-31)23-12-5-2-6-13-23/h1-13,18H,14-17,19H2,(H,28,33)/b29-27?,30-25-
InChIKey
BHPDLBRRKMTDGV-FTGRWOICSA-N
Compound name
N-[(Z)-[[(3-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.17783 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.18511 211.0
[M+Na]+ 483.16705 224.3
[M+NH4]+ 478.21165 217.8
[M+K]+ 499.14099 214.4
[M-H]- 459.17055 220.9
[M+Na-2H]- 481.15250 223.0
[M]+ 460.17728 215.8
[M]- 460.17838 215.8
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.