CID 9570041

Nsc635339

Structural Information

Molecular Formula
C25H16Br2N4O3
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C(\C(C#N)C2=CC=C(C=C2)Br)/C(=O)C(C#N)C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C25H16Br2N4O3/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
JRHDLKYYKPTMNO-JJKYIXSRSA-N
Compound name
N-[(E)-[1,4-bis(4-bromophenyl)-1,4-dicyano-3-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.9589 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.96618 199.9
[M+Na]+ 600.94812 207.1
[M-H]- 576.95162 201.4
[M+NH4]+ 595.99272 204.0
[M+K]+ 616.92206 192.1
[M+H-H2O]+ 560.95616 192.6
[M+HCOO]- 622.95710 210.3
[M+CH3COO]- 636.97275 254.1
[M+Na-2H]- 598.93357 196.6
[M]+ 577.95835 212.7
[M]- 577.95945 212.7
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.