CID 215120

4h-2,3-benzodiazepin-4-one, 3,5-dihydro-1-(4-methoxyphenyl)-3-(2-(4-morpholinyl)ethyl)-, (z)-2-butenedioate

Structural Information

Molecular Formula
C22H25N3O3
SMILES
COC1=CC=C(C=C1)C2=NN(C(=O)CC3=CC=CC=C32)CCN4CCOCC4
InChI
InChI=1S/C22H25N3O3/c1-27-19-8-6-17(7-9-19)22-20-5-3-2-4-18(20)16-21(26)25(23-22)11-10-24-12-14-28-15-13-24/h2-9H,10-16H2,1H3
InChIKey
SJAQKLCEEYENTF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-2,3-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.196876 193.8
[M+Na]+ 402.178818 198.5
[M-H]- 378.182324 200.7
[M+NH4]+ 397.223423 199.9
[M+K]+ 418.152758 198.2
[M+H-H2O]+ 362.186860 181.4
[M+HCOO]- 424.187801 206.0
[M+CH3COO]- 438.203451 201.1
[M+Na-2H]- 400.164266 195.8
[M]+ 379.18905142 189.8
[M]- 379.19014858 189.8
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.