CID 2878659

11-(2,3-dimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one

Structural Information

Molecular Formula
C25H30N2O3
SMILES
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=C(C(=CC=C4)OC)OC)C(=O)CC(C3)(C)C
InChI
InChI=1S/C25H30N2O3/c1-14-10-17-18(11-15(14)2)27-23(16-8-7-9-21(29-5)24(16)30-6)22-19(26-17)12-25(3,4)13-20(22)28/h7-11,23,26-27H,12-13H2,1-6H3
InChIKey
ARCOLLUBSRHIQJ-UHFFFAOYSA-N
Compound name
6-(2,3-dimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

406.22565 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23293 203.5
[M+Na]+ 429.21487 211.3
[M-H]- 405.21837 208.2
[M+NH4]+ 424.25947 214.4
[M+K]+ 445.18881 209.0
[M+H-H2O]+ 389.22291 194.4
[M+HCOO]- 451.22385 213.9
[M+CH3COO]- 465.23950 211.0
[M+Na-2H]- 427.20032 203.0
[M]+ 406.22510 200.9
[M]- 406.22620 200.9
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.