CID 375004

Nsc653830

Structural Information

Molecular Formula
C20H17N3O2
SMILES
C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H17N3O2/c21-13-17(22-23-19(25)12-14-6-2-1-3-7-14)20-16-9-5-4-8-15(16)10-11-18(20)24/h1-11,17,22,24H,12H2,(H,23,25)
InChIKey
YYJNDSBCWFLUBU-UHFFFAOYSA-N
Compound name
N'-[cyano-(2-hydroxynaphthalen-1-yl)methyl]-2-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 186.5
[M+Na]+ 354.12130 193.7
[M-H]- 330.12480 190.3
[M+NH4]+ 349.16590 197.6
[M+K]+ 370.09524 186.1
[M+H-H2O]+ 314.12934 171.6
[M+HCOO]- 376.13028 203.6
[M+CH3COO]- 390.14593 222.2
[M+Na-2H]- 352.10675 189.6
[M]+ 331.13153 179.2
[M]- 331.13263 179.2
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.