CID 9570936

Benzoic acid, p-(3,4,5-trimethoxybenzamido)-, 2-(p-(dimethylamino)benzylidene)hydrazide

Structural Information

Molecular Formula
C26H28N4O5
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H28N4O5/c1-30(2)21-12-6-17(7-13-21)16-27-29-26(32)18-8-10-20(11-9-18)28-25(31)19-14-22(33-3)24(35-5)23(15-19)34-4/h6-16H,1-5H3,(H,28,31)(H,29,32)/b27-16+
InChIKey
VPDMFTREWFDFJV-JVWAILMASA-N
Compound name
N-[4-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.20596 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.21324 217.4
[M+Na]+ 499.19518 228.0
[M+NH4]+ 494.23978 221.6
[M+K]+ 515.16912 221.9
[M-H]- 475.19868 224.3
[M+Na-2H]- 497.18063 225.1
[M]+ 476.20541 220.5
[M]- 476.20651 220.5
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.