CID 3050071

65647-20-3

Structural Information

Molecular Formula
C22H30N3O
SMILES
CC[N+](C)(CC)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C22H30N3O/c1-4-25(3,5-2)18-17-23-15-16-24(19-11-7-6-8-12-19)21-14-10-9-13-20(21)22(23)26/h6-14H,4-5,15-18H2,1-3H3/q+1
InChIKey
UYTCCACRSFLCPG-UHFFFAOYSA-N
Compound name
diethyl-methyl-[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

352.2389 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24618 188.8
[M+Na]+ 375.22812 193.0
[M-H]- 351.23162 195.3
[M+NH4]+ 370.27272 199.7
[M+K]+ 391.20206 187.1
[M+H-H2O]+ 335.23616 181.6
[M+HCOO]- 397.23710 205.0
[M+CH3COO]- 411.25275 214.9
[M+Na-2H]- 373.21357 195.1
[M]+ 352.23835 185.3
[M]- 352.23945 185.3
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.