CID 108526

Einecs 262-533-7

Structural Information

Molecular Formula

C₂₃H₂₇N₃O

SMILES

CC1(C2=CC=CC=C2N3C1(NC(=O)CC3)C=CC4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C23H27N3O/c1-22(2)19-7-5-6-8-20(19)26-16-14-21(27)24-23(22,26)15-13-17-9-11-18(12-10-17)25(3)4/h5-13,15H,14,16H2,1-4H3,(H,24,27)

InChIKey

GRDAWTQQWOGWLJ-UHFFFAOYSA-N

Compound name

10a-[2-[4-(dimethylamino)phenyl]ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 361.21542 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	362.222696	189.7
[M+Na]+	384.204638	197.2
[M-H]-	360.208144	195.0
[M+NH4]+	379.249243	207.0
[M+K]+	400.178578	190.4
[M+H-H2O]+	344.212680	179.9
[M+HCOO]-	406.213621	204.8
[M+CH3COO]-	420.229271	198.8
[M+Na-2H]-	382.190086	191.7
[M]+	361.21487142	187.6
[M]-	361.21596858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.