CID 5388352

Nsc635332

Structural Information

Molecular Formula
C25H18N4O3
SMILES
C1=CC=C(C=C1)C(C#N)/C(=N/NC(=O)C2=CC=CC=C2O)/C(=O)C(C#N)C3=CC=CC=C3
InChI
InChI=1S/C25H18N4O3/c26-15-20(17-9-3-1-4-10-17)23(24(31)21(16-27)18-11-5-2-6-12-18)28-29-25(32)19-13-7-8-14-22(19)30/h1-14,20-21,30H,(H,29,32)/b28-23-
InChIKey
RHYLKAKIUJIVPI-NFFVHWSESA-N
Compound name
N-[(Z)-(1,4-dicyano-3-oxo-1,4-diphenylbutan-2-ylidene)amino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.13788 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14516 217.7
[M+Na]+ 445.12710 223.4
[M-H]- 421.13060 221.2
[M+NH4]+ 440.17170 221.6
[M+K]+ 461.10104 215.9
[M+H-H2O]+ 405.13514 199.0
[M+HCOO]- 467.13608 226.5
[M+CH3COO]- 481.15173 246.0
[M+Na-2H]- 443.11255 213.0
[M]+ 422.13733 206.7
[M]- 422.13843 206.7
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.