CID 374998

Nsc653824

Structural Information

Molecular Formula
C16H14N4O3
SMILES
C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O3/c17-11-15(13-6-8-14(9-7-13)20(22)23)18-19-16(21)10-12-4-2-1-3-5-12/h1-9,15,18H,10H2,(H,19,21)
InChIKey
CLMMKPJCFHIAFW-UHFFFAOYSA-N
Compound name
N'-[cyano-(4-nitrophenyl)methyl]-2-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1066 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 180.3
[M+Na]+ 333.09582 185.1
[M-H]- 309.09932 184.3
[M+NH4]+ 328.14042 190.6
[M+K]+ 349.06976 177.1
[M+H-H2O]+ 293.10386 168.8
[M+HCOO]- 355.10480 200.6
[M+CH3COO]- 369.12045 213.5
[M+Na-2H]- 331.08127 184.0
[M]+ 310.10605 171.5
[M]- 310.10715 171.5
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.