CID 5747173

85080-16-6

Structural Information

Molecular Formula
C19H19N5O6
SMILES
CN(C)CC(=O)NNC(=O)C(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H19N5O6/c1-23(2)11-16(25)21-22-19(28)17(26)14-5-3-4-6-15(14)20-18(27)12-7-9-13(10-8-12)24(29)30/h3-10H,11H2,1-2H3,(H,20,27)(H,21,25)(H,22,28)
InChIKey
HEPXSEJGCHUEPU-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-[2-(dimethylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.13354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14082 191.5
[M+Na]+ 436.12276 191.7
[M-H]- 412.12626 198.6
[M+NH4]+ 431.16736 199.0
[M+K]+ 452.09670 187.7
[M+H-H2O]+ 396.13080 185.6
[M+HCOO]- 458.13174 216.8
[M+CH3COO]- 472.14739 229.4
[M+Na-2H]- 434.10821 194.2
[M]+ 413.13299 189.7
[M]- 413.13409 189.7
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.