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]+ 380.196876 194.1
[M+Na]+ 402.178818 196.0
[M-H]- 378.182324 200.7
[M+NH4]+ 397.223423 204.8
[M+K]+ 418.152758 192.3
[M+H-H2O]+ 362.186860 183.8
[M+HCOO]- 424.187801 218.6
[M+CH3COO]- 438.203451 227.6
[M+Na-2H]- 400.164266 195.2
[M]+ 379.18905142 195.2
[M]- 379.19014858 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.