CID 375000

Nsc653826

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H15N3O2/c17-11-15(13-7-4-8-14(20)10-13)18-19-16(21)9-12-5-2-1-3-6-12/h1-8,10,15,18,20H,9H2,(H,19,21)
InChIKey
DVOJGAJPUYZCCD-UHFFFAOYSA-N
Compound name
N'-[cyano-(3-hydroxyphenyl)methyl]-2-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 172.3
[M+Na]+ 304.10564 178.7
[M-H]- 280.10914 175.7
[M+NH4]+ 299.15024 184.3
[M+K]+ 320.07958 173.5
[M+H-H2O]+ 264.11368 157.6
[M+HCOO]- 326.11462 191.0
[M+CH3COO]- 340.13027 212.4
[M+Na-2H]- 302.09109 175.0
[M]+ 281.11587 164.5
[M]- 281.11697 164.5
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.