CID 28677

17656-71-2

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC1(CN2CC(=O)N(C3=CC=CC=C3C2C4=CC=CC=C41)C)C
InChI
InChI=1S/C20H22N2O/c1-20(2)13-22-12-18(23)21(3)17-11-7-5-9-15(17)19(22)14-8-4-6-10-16(14)20/h4-11,19H,12-13H2,1-3H3
InChIKey
ZPXJMHQDJQARQT-UHFFFAOYSA-N
Compound name
5,10,10-trimethyl-9,14b-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.3
[M+Na]+ 329.16244 183.3
[M-H]- 305.16594 179.2
[M+NH4]+ 324.20704 191.2
[M+K]+ 345.13638 180.2
[M+H-H2O]+ 289.17048 165.8
[M+HCOO]- 351.17142 187.7
[M+CH3COO]- 365.18707 184.4
[M+Na-2H]- 327.14789 179.5
[M]+ 306.17267 170.8
[M]- 306.17377 170.8
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.