CID 5185538

N'-(4-nitrophenyl)benzohydrazide

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O3/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(9-7-11)16(18)19/h1-9,14H,(H,15,17)
InChIKey
JJMHIEVGMFNTRR-UHFFFAOYSA-N
Compound name
N'-(4-nitrophenyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

257.08005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 152.8
[M+Na]+ 280.06927 157.2
[M-H]- 256.07277 159.3
[M+NH4]+ 275.11387 167.3
[M+K]+ 296.04321 150.3
[M+H-H2O]+ 240.07731 149.0
[M+HCOO]- 302.07825 179.9
[M+CH3COO]- 316.09390 192.5
[M+Na-2H]- 278.05472 161.4
[M]+ 257.07950 149.2
[M]- 257.08060 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe