CID 135484736

Nsc698452

Structural Information

Molecular Formula
C28H23N5O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C4=CC=CC=C4O)O
InChI
InChI=1S/C28H23N5O4/c34-25-15-7-1-9-19(25)17-29-32-27(36)21-11-3-5-13-23(21)31-24-14-6-4-12-22(24)28(37)33-30-18-20-10-2-8-16-26(20)35/h1-18,31,34-35H,(H,32,36)(H,33,37)/b29-17+,30-18+
InChIKey
NKSCVBFVBBRUIV-YAGSLNJISA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.17502 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.18230 214.9
[M+Na]+ 516.16424 216.8
[M-H]- 492.16774 226.8
[M+NH4]+ 511.20884 218.8
[M+K]+ 532.13818 211.9
[M+H-H2O]+ 476.17228 201.9
[M+HCOO]- 538.17322 240.9
[M+CH3COO]- 552.18887 251.5
[M+Na-2H]- 514.14969 218.9
[M]+ 493.17447 212.8
[M]- 493.17557 212.8
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.