CID 9666498

N-(2-(2-(4-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=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O5/c1-2-11-28-17-9-5-15(6-10-17)19(25)20-13-18(24)22-21-12-14-3-7-16(8-4-14)23(26)27/h3-10,12H,2,11,13H2,1H3,(H,20,25)(H,22,24)/b21-12+
InChIKey
LLFGOFWEWMXWQE-CIAFOILYSA-N
Compound name
N-[2-[(2E)-2-[(4-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 188.0
[M+Na]+ 407.13259 189.9
[M-H]- 383.13609 195.1
[M+NH4]+ 402.17719 197.5
[M+K]+ 423.10653 183.5
[M+H-H2O]+ 367.14063 182.1
[M+HCOO]- 429.14157 215.0
[M+CH3COO]- 443.15722 221.2
[M+Na-2H]- 405.11804 193.0
[M]+ 384.14282 188.2
[M]- 384.14392 188.2
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.