CID 5388369

Nsc635402

Structural Information

Molecular Formula
C25H16Cl2N4O3
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C(/C(C#N)C2=CC=C(C=C2)Cl)\C(=O)C(C#N)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C25H16Cl2N4O3/c26-17-9-5-15(6-10-17)20(13-28)23(30-31-25(34)19-3-1-2-4-22(19)32)24(33)21(14-29)16-7-11-18(27)12-8-16/h1-12,20-21,32H,(H,31,34)/b30-23-
InChIKey
NSESCDYZPCIYJX-WMMMYUQOSA-N
Compound name
N-[(Z)-[1,4-bis(4-chlorophenyl)-1,4-dicyano-3-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.05994 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.06722 220.8
[M+Na]+ 513.04916 229.2
[M-H]- 489.05266 224.8
[M+NH4]+ 508.09376 225.0
[M+K]+ 529.02310 220.2
[M+H-H2O]+ 473.05720 204.5
[M+HCOO]- 535.05814 224.5
[M+CH3COO]- 549.07379 251.8
[M+Na-2H]- 511.03461 215.4
[M]+ 490.05939 213.9
[M]- 490.06049 213.9
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.