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]+ 349.191056 187.6
[M+Na]+ 371.172998 194.6
[M-H]- 347.176504 191.8
[M+NH4]+ 366.217603 200.1
[M+K]+ 387.146938 191.2
[M+H-H2O]+ 331.181040 178.6
[M+HCOO]- 393.181981 199.1
[M+CH3COO]- 407.197631 195.6
[M+Na-2H]- 369.158446 190.4
[M]+ 348.18323142 181.5
[M]- 348.18432858 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.