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]+ 252.11315 164.1
[M+Na]+ 274.09509 171.1
[M-H]- 250.09859 169.7
[M+NH4]+ 269.13969 178.3
[M+K]+ 290.06903 166.6
[M+H-H2O]+ 234.10313 149.0
[M+HCOO]- 296.10407 185.6
[M+CH3COO]- 310.11972 211.1
[M+Na-2H]- 272.08054 168.9
[M]+ 251.10532 157.8
[M]- 251.10642 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.