CID 5746882

4-nitrobenzoic acid 2-(4-((bis(2-hydroxyethyl)amino)carbonyl)phenyl)hydrazide

Structural Information

Molecular Formula
C18H20N4O6
SMILES
C1=CC(=CC=C1C(=O)N(CCO)CCO)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O6/c23-11-9-21(10-12-24)18(26)14-1-5-15(6-2-14)19-20-17(25)13-3-7-16(8-4-13)22(27)28/h1-8,19,23-24H,9-12H2,(H,20,25)
InChIKey
DQYXNRCGZSKVMB-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.13828 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14556 184.5
[M+Na]+ 411.12750 185.0
[M-H]- 387.13100 189.0
[M+NH4]+ 406.17210 192.2
[M+K]+ 427.10144 179.3
[M+H-H2O]+ 371.13554 179.1
[M+HCOO]- 433.13648 207.9
[M+CH3COO]- 447.15213 218.0
[M+Na-2H]- 409.11295 188.5
[M]+ 388.13773 182.3
[M]- 388.13883 182.3
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.