CID 2866356

11-(2-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4OC)C(=O)C1)C
InChI
InChI=1S/C22H24N2O2/c1-22(2)12-17-20(18(25)13-22)21(14-8-4-7-11-19(14)26-3)24-16-10-6-5-9-15(16)23-17/h4-11,21,23-24H,12-13H2,1-3H3
InChIKey
MHTFXBSJIFVYSG-UHFFFAOYSA-N
Compound name
6-(2-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

348.18378 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 187.6
[M+Na]+ 371.17300 194.6
[M-H]- 347.17650 191.8
[M+NH4]+ 366.21760 200.1
[M+K]+ 387.14694 191.2
[M+H-H2O]+ 331.18104 178.6
[M+HCOO]- 393.18198 199.1
[M+CH3COO]- 407.19763 195.6
[M+Na-2H]- 369.15845 190.4
[M]+ 348.18323 181.5
[M]- 348.18433 181.5
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.