CID 3050073

65647-21-4

Structural Information

Molecular Formula
C22H28N3O
SMILES
C[N+]1(CCCC1)CCN2CCN(C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H28N3O/c1-25(16-7-8-17-25)18-15-23-13-14-24(19-9-3-2-4-10-19)21-12-6-5-11-20(21)22(23)26/h2-6,9-12H,7-8,13-18H2,1H3/q+1
InChIKey
ZEPCPKVTLATZRO-UHFFFAOYSA-N
Compound name
4-[2-(1-methylpyrrolidin-1-ium-1-yl)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

350.22324 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.23052 188.1
[M+Na]+ 373.21246 201.3
[M+NH4]+ 368.25706 197.5
[M+K]+ 389.18640 194.2
[M-H]- 349.21596 194.0
[M+Na-2H]- 371.19791 196.6
[M]+ 350.22269 192.2
[M]- 350.22379 192.2
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.