CID 3050065

65647-17-8

Structural Information

Molecular Formula
C20H26N3O
SMILES
C[N+](C)(C)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H26N3O/c1-23(2,3)16-15-21-13-14-22(17-9-5-4-6-10-17)19-12-8-7-11-18(19)20(21)24/h4-12H,13-16H2,1-3H3/q+1
InChIKey
WYXQEFDEXUAROC-UHFFFAOYSA-N
Compound name
trimethyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.20758 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21486 179.9
[M+Na]+ 347.19680 184.9
[M-H]- 323.20030 186.8
[M+NH4]+ 342.24140 192.0
[M+K]+ 363.17074 179.5
[M+H-H2O]+ 307.20484 173.1
[M+HCOO]- 369.20578 196.8
[M+CH3COO]- 383.22143 209.3
[M+Na-2H]- 345.18225 187.2
[M]+ 324.20703 175.8
[M]- 324.20813 175.8
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.