CID 5410645

Nsc632932

Structural Information

Molecular Formula
C16H14N4O4
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NN
InChI
InChI=1S/C16H14N4O4/c17-19-16(22)14(18-15(21)12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)20(23)24/h1-10H,17H2,(H,18,21)(H,19,22)/b14-10+
InChIKey
GCUKFUYVUWDOQJ-GXDHUFHOSA-N
Compound name
N-[(E)-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

326.1015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 170.8
[M+Na]+ 349.09072 172.8
[M-H]- 325.09422 176.3
[M+NH4]+ 344.13532 181.5
[M+K]+ 365.06466 165.8
[M+H-H2O]+ 309.09876 166.2
[M+HCOO]- 371.09970 195.7
[M+CH3COO]- 385.11535 206.5
[M+Na-2H]- 347.07617 175.3
[M]+ 326.10095 165.0
[M]- 326.10205 165.0
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.