CID 285482

Nsc142462

Structural Information

Molecular Formula
C23H24N2O
SMILES
CN1C2CCCCC2C(=CC1=O)C=NC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H24N2O/c1-25-22-10-6-5-9-21(22)19(15-23(25)26)16-24-20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-4,7-8,11-16,21-22H,5-6,9-10H2,1H3
InChIKey
OYSCKFIELWMGSV-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-phenylphenyl)iminomethyl]-4a,5,6,7,8,8a-hexahydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.18887 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19615 184.7
[M+Na]+ 367.17809 189.6
[M-H]- 343.18159 193.7
[M+NH4]+ 362.22269 197.2
[M+K]+ 383.15203 183.1
[M+H-H2O]+ 327.18613 173.2
[M+HCOO]- 389.18707 202.8
[M+CH3COO]- 403.20272 193.9
[M+Na-2H]- 365.16354 187.2
[M]+ 344.18832 179.9
[M]- 344.18942 179.9
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.