CID 215120

Ld-w 508-69

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]+ 380.19688 193.8
[M+Na]+ 402.17882 198.5
[M-H]- 378.18232 200.7
[M+NH4]+ 397.22342 199.9
[M+K]+ 418.15276 198.2
[M+H-H2O]+ 362.18686 181.4
[M+HCOO]- 424.18780 206.0
[M+CH3COO]- 438.20345 201.1
[M+Na-2H]- 400.16427 195.8
[M]+ 379.18905 189.8
[M]- 379.19015 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.