CID 512463

10-methoxy-1-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydro-2h-benzo[i][1,4]benzodiazepin-5-one

Structural Information

Molecular Formula
C22H24N2O3
SMILES
COC1=CC=C(C=C1)CN2CCNC(=O)C3=C2C4=C(CC3)C=CC(=C4)OC
InChI
InChI=1S/C22H24N2O3/c1-26-17-7-3-15(4-8-17)14-24-12-11-23-22(25)19-10-6-16-5-9-18(27-2)13-20(16)21(19)24/h3-5,7-9,13H,6,10-12,14H2,1-2H3,(H,23,25)
InChIKey
KPXVLNRCBFNQFF-UHFFFAOYSA-N
Compound name
10-methoxy-1-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.9
[M+Na]+ 387.16790 194.9
[M-H]- 363.17140 194.0
[M+NH4]+ 382.21250 199.4
[M+K]+ 403.14184 193.3
[M+H-H2O]+ 347.17594 179.7
[M+HCOO]- 409.17688 202.0
[M+CH3COO]- 423.19253 197.1
[M+Na-2H]- 385.15335 191.4
[M]+ 364.17813 185.5
[M]- 364.17923 185.5
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.