CID 9637048

N-(2-(2-(3-nitrobenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C19H20N4O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O5/c1-2-10-28-17-8-6-15(7-9-17)19(25)20-13-18(24)22-21-12-14-4-3-5-16(11-14)23(26)27/h3-9,11-12H,2,10,13H2,1H3,(H,20,25)(H,22,24)/b21-12+
InChIKey
HHSUUYYRWUIIQT-CIAFOILYSA-N
Compound name
N-[2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.14337 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15065 188.8
[M+Na]+ 407.13259 198.5
[M+NH4]+ 402.17719 193.2
[M+K]+ 423.10653 195.4
[M-H]- 383.13609 193.7
[M+Na-2H]- 405.11804 194.7
[M]+ 384.14282 190.9
[M]- 384.14392 190.9
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.