CID 3068761

83737-47-7

Structural Information

Molecular Formula
C25H23ClFN3O
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)CC4=CC=CC=C4Cl
InChI
InChI=1S/C25H23ClFN3O/c1-30-18(15-28-24(31)14-17-8-2-5-11-21(17)26)16-29-25(19-9-3-6-12-22(19)27)20-10-4-7-13-23(20)30/h2-13,18H,14-16H2,1H3,(H,28,31)
InChIKey
UWNCAFWLYKOSQT-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.15137 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.15865 205.4
[M+Na]+ 458.14059 213.3
[M-H]- 434.14409 212.4
[M+NH4]+ 453.18519 213.5
[M+K]+ 474.11453 209.7
[M+H-H2O]+ 418.14863 193.6
[M+HCOO]- 480.14957 217.6
[M+CH3COO]- 494.16522 213.1
[M+Na-2H]- 456.12604 206.6
[M]+ 435.15082 203.6
[M]- 435.15192 203.7
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.