CID 213949

Brn 0857272

Structural Information

Molecular Formula
C23H20ClN3O2
SMILES
C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCOC4=CC=C(C=C4)N
InChI
InChI=1S/C23H20ClN3O2/c24-17-6-11-21-20(14-17)23(16-4-2-1-3-5-16)26-15-22(28)27(21)12-13-29-19-9-7-18(25)8-10-19/h1-11,14H,12-13,15,25H2
InChIKey
NMAASLNIDRWUBN-UHFFFAOYSA-N
Compound name
1-[2-(4-aminophenoxy)ethyl]-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13168 199.7
[M+Na]+ 428.11362 208.3
[M-H]- 404.11712 207.8
[M+NH4]+ 423.15822 208.6
[M+K]+ 444.08756 205.6
[M+H-H2O]+ 388.12166 188.8
[M+HCOO]- 450.12260 214.0
[M+CH3COO]- 464.13825 208.4
[M+Na-2H]- 426.09907 202.3
[M]+ 405.12385 199.1
[M]- 405.12495 199.1
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.