CID 45054673

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

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC=C
InChI
InChI=1S/C22H25N3O4/c1-3-13-28-19-11-9-17(10-12-19)22(27)23-16-21(26)25-24-15-18-7-5-6-8-20(18)29-14-4-2/h4-12,15H,2-3,13-14,16H2,1H3,(H,23,27)(H,25,26)/b24-15+
InChIKey
XNZUSMBEISUQBN-BUVRLJJBSA-N
Compound name
N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1845 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 195.8
[M+Na]+ 418.17372 198.7
[M-H]- 394.17722 202.7
[M+NH4]+ 413.21832 206.0
[M+K]+ 434.14766 195.2
[M+H-H2O]+ 378.18176 185.2
[M+HCOO]- 440.18270 221.5
[M+CH3COO]- 454.19835 230.9
[M+Na-2H]- 416.15917 197.6
[M]+ 395.18395 199.4
[M]- 395.18505 199.4
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.