CID 2880983

Ml-sa1

Structural Information

Molecular Formula
C22H22N2O3
SMILES
CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)C
InChI
InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3
InChIKey
KDDHBJICVBONAX-UHFFFAOYSA-N
Compound name
2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

79
Patents

362.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.170336 188.0
[M+Na]+ 385.152278 197.2
[M-H]- 361.155784 194.0
[M+NH4]+ 380.196883 203.8
[M+K]+ 401.126218 191.3
[M+H-H2O]+ 345.160320 178.9
[M+HCOO]- 407.161261 202.7
[M+CH3COO]- 421.176911 198.0
[M+Na-2H]- 383.137726 187.6
[M]+ 362.16251142 188.7
[M]- 362.16360858 188.7
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

patents stripe