CID 47693

65647-14-5

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN(CC)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O/c1-3-22(4-2)14-15-23-16-17-24(18-10-6-5-7-11-18)20-13-9-8-12-19(20)21(23)25/h5-13H,3-4,14-17H2,1-2H3
InChIKey
DUKOQRXNBYNJED-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.222696 182.7
[M+Na]+ 360.204638 186.9
[M-H]- 336.208144 188.9
[M+NH4]+ 355.249243 194.1
[M+K]+ 376.178578 186.7
[M+H-H2O]+ 320.212680 172.6
[M+HCOO]- 382.213621 200.3
[M+CH3COO]- 396.229271 218.9
[M+Na-2H]- 358.190086 185.4
[M]+ 337.21487142 180.4
[M]- 337.21596858 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.