CID 455112

Thiazoloisoindol-5-one deriv. 38

Structural Information

Molecular Formula
C18H17NO
SMILES
C1CCN2C(=O)C3=CC=CC=C3C2(C1)C4=CC=CC=C4
InChI
InChI=1S/C18H17NO/c20-17-15-10-4-5-11-16(15)18(12-6-7-13-19(17)18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKey
JVKLGUOFUHFYRR-UHFFFAOYSA-N
Compound name
10b-phenyl-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.131 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 161.8
[M+Na]+ 286.12022 169.5
[M-H]- 262.12372 168.5
[M+NH4]+ 281.16482 182.4
[M+K]+ 302.09416 163.6
[M+H-H2O]+ 246.12826 153.1
[M+HCOO]- 308.12920 179.9
[M+CH3COO]- 322.14485 173.4
[M+Na-2H]- 284.10567 166.9
[M]+ 263.13045 158.3
[M]- 263.13155 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.