CID 5930141

Nsc628009

Structural Information

Molecular Formula
C18H19N3O2
SMILES
COC1=CC(=C(C=C1)C2=CC=CC=C2)N/N=C/3\CCCNC3=O
InChI
InChI=1S/C18H19N3O2/c1-23-14-9-10-15(13-6-3-2-4-7-13)17(12-14)21-20-16-8-5-11-19-18(16)22/h2-4,6-7,9-10,12,21H,5,8,11H2,1H3,(H,19,22)/b20-16+
InChIKey
SCELXIZLFUUWNK-CAPFRKAQSA-N
Compound name
(3E)-3-[(5-methoxy-2-phenylphenyl)hydrazinylidene]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 171.7
[M+Na]+ 332.13696 176.3
[M-H]- 308.14046 179.3
[M+NH4]+ 327.18156 183.7
[M+K]+ 348.11090 171.1
[M+H-H2O]+ 292.14500 161.3
[M+HCOO]- 354.14594 193.2
[M+CH3COO]- 368.16159 209.1
[M+Na-2H]- 330.12241 176.0
[M]+ 309.14719 166.8
[M]- 309.14829 166.8
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.