CID 9556311

Nsc690949

Structural Information

Molecular Formula
C34H34N6O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C(/C(=O)NC2=CC=CC=C2C(=O)N/N=C/C3=CC=C(C=C3)N(C)C)\NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C34H34N6O3/c1-39(2)27-18-14-24(15-19-27)22-31(37-32(41)26-10-6-5-7-11-26)34(43)36-30-13-9-8-12-29(30)33(42)38-35-23-25-16-20-28(21-17-25)40(3)4/h5-23H,1-4H3,(H,36,43)(H,37,41)(H,38,42)/b31-22-,35-23+
InChIKey
GCAYZVMKLSBZNY-RCZAMSQGSA-N
Compound name
2-[[(Z)-2-benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.2692 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.27648 242.1
[M+Na]+ 597.25842 240.0
[M-H]- 573.26192 256.3
[M+NH4]+ 592.30302 243.7
[M+K]+ 613.23236 238.0
[M+H-H2O]+ 557.26646 227.9
[M+HCOO]- 619.26740 267.3
[M+CH3COO]- 633.28305 277.9
[M+Na-2H]- 595.24387 241.1
[M]+ 574.26865 241.8
[M]- 574.26975 241.8
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.