CID 337315

62333-79-3

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC1=CC=C(C=C1)C23C(C(=O)N2CCC4=CC=CC=C34)N
InChI
InChI=1S/C18H18N2O/c1-12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-11-20(18)17(21)16(18)19/h2-9,16H,10-11,19H2,1H3
InChIKey
XKFUXXSYHYVHHW-UHFFFAOYSA-N
Compound name
1-amino-9b-(4-methylphenyl)-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 165.6
[M+Na]+ 301.13112 173.5
[M-H]- 277.13462 172.1
[M+NH4]+ 296.17572 177.6
[M+K]+ 317.10506 171.1
[M+H-H2O]+ 261.13916 152.0
[M+HCOO]- 323.14010 182.9
[M+CH3COO]- 337.15575 176.4
[M+Na-2H]- 299.11657 171.0
[M]+ 278.14135 171.8
[M]- 278.14245 171.8
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.