CID 9665476

N-(2-(2-(4-(dimethylamino)benzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C21H26N4O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C21H26N4O3/c1-4-13-28-19-11-7-17(8-12-19)21(27)22-15-20(26)24-23-14-16-5-9-18(10-6-16)25(2)3/h5-12,14H,4,13,15H2,1-3H3,(H,22,27)(H,24,26)/b23-14+
InChIKey
SNJDLTNODMFSMW-OEAKJJBVSA-N
Compound name
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.207776 194.0
[M+Na]+ 405.189718 196.5
[M-H]- 381.193224 202.5
[M+NH4]+ 400.234323 205.2
[M+K]+ 421.163658 194.7
[M+H-H2O]+ 365.197760 183.3
[M+HCOO]- 427.198701 221.1
[M+CH3COO]- 441.214351 234.9
[M+Na-2H]- 403.175166 195.9
[M]+ 382.19995142 197.1
[M]- 382.20104858 197.1
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.