CID 9556366

Nsc698446

Structural Information

Molecular Formula
C32H33N7O2
SMILES
CN(C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)N/N=C/C4=CC=C(C=C4)N(C)C)C
InChI
InChI=1S/C32H33N7O2/c1-38(2)25-17-13-23(14-18-25)21-33-36-31(40)27-9-5-7-11-29(27)35-30-12-8-6-10-28(30)32(41)37-34-22-24-15-19-26(20-16-24)39(3)4/h5-22,35H,1-4H3,(H,36,40)(H,37,41)/b33-21+,34-22+
InChIKey
HWGHWJMKOZPYOA-WXGDAXOSSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[2-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.2696 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.27688 235.7
[M+Na]+ 570.25882 235.5
[M-H]- 546.26232 251.7
[M+NH4]+ 565.30342 239.3
[M+K]+ 586.23276 233.2
[M+H-H2O]+ 530.26686 220.8
[M+HCOO]- 592.26780 265.4
[M+CH3COO]- 606.28345 278.1
[M+Na-2H]- 568.24427 237.8
[M]+ 547.26905 236.7
[M]- 547.27015 236.7
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.