CID 45054166

N-(2-(2-(2-me-3-phenyl-2-propenylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C(=C\C2=CC=CC=C2)/C
InChI
InChI=1S/C22H25N3O3/c1-3-13-28-20-11-9-19(10-12-20)22(27)23-16-21(26)25-24-15-17(2)14-18-7-5-4-6-8-18/h4-12,14-15H,3,13,16H2,1-2H3,(H,23,27)(H,25,26)/b17-14-,24-15+
InChIKey
CCJPSOANMQGEOU-BEWIEFEOSA-N
Compound name
N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 194.1
[M+Na]+ 402.17882 196.0
[M-H]- 378.18232 200.7
[M+NH4]+ 397.22342 204.8
[M+K]+ 418.15276 192.3
[M+H-H2O]+ 362.18686 183.8
[M+HCOO]- 424.18780 218.6
[M+CH3COO]- 438.20345 227.6
[M+Na-2H]- 400.16427 195.2
[M]+ 379.18905 195.2
[M]- 379.19015 195.2
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.