CID 379646

Nsc664406

Structural Information

Molecular Formula
C17H15NO
SMILES
C1CN2C(C(C2=O)C3=CC=CC=C3)C4=CC=CC=C41
InChI
InChI=1S/C17H15NO/c19-17-15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-18(16)17/h1-9,15-16H,10-11H2
InChIKey
YVSATFZLGPYTDN-UHFFFAOYSA-N
Compound name
1-phenyl-1,4,5,9b-tetrahydroazeto[2,1-a]isoquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 150.7
[M+Na]+ 272.10459 158.2
[M-H]- 248.10809 157.3
[M+NH4]+ 267.14919 162.3
[M+K]+ 288.07853 156.2
[M+H-H2O]+ 232.11263 137.4
[M+HCOO]- 294.11357 168.3
[M+CH3COO]- 308.12922 162.4
[M+Na-2H]- 270.09004 157.6
[M]+ 249.11482 157.5
[M]- 249.11592 157.5
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.