CID 48318

Ro 2-2227

Structural Information

Molecular Formula
C24H28N3O2
SMILES
CN(C)C(=O)OC1=C(N=CC=C1)C[N+](C)(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H28N3O2/c1-26(2)24(28)29-23-15-10-16-25-22(23)19-27(3,17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21/h4-16H,17-19H2,1-3H3/q+1
InChIKey
UALNPWKHTUTLAM-UHFFFAOYSA-N
Compound name
dibenzyl-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.21814 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22542 197.7
[M+Na]+ 413.20736 200.6
[M-H]- 389.21086 207.8
[M+NH4]+ 408.25196 207.2
[M+K]+ 429.18130 191.6
[M+H-H2O]+ 373.21540 188.6
[M+HCOO]- 435.21634 219.8
[M+CH3COO]- 449.23199 223.3
[M+Na-2H]- 411.19281 204.9
[M]+ 390.21759 198.9
[M]- 390.21869 198.9
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.