CID 9556368

Nsc698448

Structural Information

Molecular Formula
C30H27N5O4
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C30H27N5O4/c1-38-23-15-11-21(12-16-23)19-31-34-29(36)25-7-3-5-9-27(25)33-28-10-6-4-8-26(28)30(37)35-32-20-22-13-17-24(39-2)18-14-22/h3-20,33H,1-2H3,(H,34,36)(H,35,37)/b31-19+,32-20+
InChIKey
FKNDCGPKYZADEA-GKTLAHRSSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.2063 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.21358 225.3
[M+Na]+ 544.19552 227.1
[M-H]- 520.19902 239.3
[M+NH4]+ 539.24012 229.3
[M+K]+ 560.16946 223.2
[M+H-H2O]+ 504.20356 211.1
[M+HCOO]- 566.20450 253.4
[M+CH3COO]- 580.22015 261.0
[M+Na-2H]- 542.18097 228.8
[M]+ 521.20575 227.1
[M]- 521.20685 227.1
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.