CID 5388166

Nsc632934

Structural Information

Molecular Formula
C16H15N5O4
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C(\C2=CC(=CC=C2)[N+](=O)[O-])/N)/C(=O)NN
InChI
InChI=1S/C16H15N5O4/c17-13(11-7-4-8-12(9-11)21(24)25)14(16(23)20-18)19-15(22)10-5-2-1-3-6-10/h1-9H,17-18H2,(H,19,22)(H,20,23)/b14-13+
InChIKey
DMAKTCPTTKQRGI-BUHFOSPRSA-N
Compound name
N-[(E)-1-amino-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11968 172.6
[M+Na]+ 364.10162 173.4
[M-H]- 340.10512 177.6
[M+NH4]+ 359.14622 182.0
[M+K]+ 380.07556 167.1
[M+H-H2O]+ 324.10966 167.8
[M+HCOO]- 386.11060 196.9
[M+CH3COO]- 400.12625 212.2
[M+Na-2H]- 362.08707 175.7
[M]+ 341.11185 164.6
[M]- 341.11295 164.6
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.