CID 512458

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

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1=CC=C(C=C1)CN2CCNC(=O)C3=C2C4=C(CC3)C=CC(=C4)OC
InChI
InChI=1S/C22H24N2O2/c1-15-3-5-16(6-4-15)14-24-12-11-23-22(25)19-10-8-17-7-9-18(26-2)13-20(17)21(19)24/h3-7,9,13H,8,10-12,14H2,1-2H3,(H,23,25)
InChIKey
ODCJWVJVGZLTQF-UHFFFAOYSA-N
Compound name
10-methoxy-1-[(4-methylphenyl)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

348.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 186.1
[M+Na]+ 371.17300 192.3
[M-H]- 347.17650 191.2
[M+NH4]+ 366.21760 197.3
[M+K]+ 387.14694 189.8
[M+H-H2O]+ 331.18104 177.1
[M+HCOO]- 393.18198 199.0
[M+CH3COO]- 407.19763 194.4
[M+Na-2H]- 369.15845 188.4
[M]+ 348.18323 181.4
[M]- 348.18433 181.4
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.