CID 629675

Chemdiv1_027478

Structural Information

Molecular Formula
C19H20N2OS
SMILES
CC1(C2=CC=CC=C2N3C1(NC(=O)CC3)C=CC4=CC=CS4)C
InChI
InChI=1S/C19H20N2OS/c1-18(2)15-7-3-4-8-16(15)21-12-10-17(22)20-19(18,21)11-9-14-6-5-13-23-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)
InChIKey
LLRKLTNKFHSDKD-UHFFFAOYSA-N
Compound name
10,10-dimethyl-10a-(2-thiophen-2-ylethenyl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.136916 177.3
[M+Na]+ 347.118858 187.2
[M-H]- 323.122364 182.1
[M+NH4]+ 342.163463 198.6
[M+K]+ 363.092798 180.2
[M+H-H2O]+ 307.126900 170.8
[M+HCOO]- 369.127841 188.9
[M+CH3COO]- 383.143491 187.9
[M+Na-2H]- 345.104306 177.5
[M]+ 324.12909142 177.2
[M]- 324.13018858 177.2
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.