CID 3329726

106839-93-4

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)NN(C2=CC=CC=C2)C(=O)CC#N
InChI
InChI=1S/C15H13N3O/c16-12-11-15(19)18(14-9-5-2-6-10-14)17-13-7-3-1-4-8-13/h1-10,17H,11H2
InChIKey
DRSHSEVEHNBEPS-UHFFFAOYSA-N
Compound name
2-cyano-N,N'-diphenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 164.1
[M+Na]+ 274.095088 171.1
[M-H]- 250.098594 169.7
[M+NH4]+ 269.139693 178.3
[M+K]+ 290.069028 166.6
[M+H-H2O]+ 234.103130 149.0
[M+HCOO]- 296.104071 185.6
[M+CH3COO]- 310.119721 211.1
[M+Na-2H]- 272.080536 168.9
[M]+ 251.10532142 157.8
[M]- 251.10641858 157.8
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.