CID 9556369

Nsc698449

Structural Information

Molecular Formula
C32H31N5O6
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C32H31N5O6/c1-40-27-15-13-21(17-29(27)42-3)19-33-36-31(38)23-9-5-7-11-25(23)35-26-12-8-6-10-24(26)32(39)37-34-20-22-14-16-28(41-2)30(18-22)43-4/h5-20,35H,1-4H3,(H,36,38)(H,37,39)/b33-19+,34-20+
InChIKey
RCCJZPDQMAUVGM-ZXHXELASSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[2-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.2274 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.23468 240.5
[M+Na]+ 604.21662 242.2
[M-H]- 580.22012 254.8
[M+NH4]+ 599.26122 242.2
[M+K]+ 620.19056 240.3
[M+H-H2O]+ 564.22466 225.5
[M+HCOO]- 626.22560 268.0
[M+CH3COO]- 640.24125 273.8
[M+Na-2H]- 602.20207 241.9
[M]+ 581.22685 246.3
[M]- 581.22795 246.3
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.