CID 48680

Ro 2-2007

Structural Information

Molecular Formula
C18H24N3O2
SMILES
CC1=CC=C(C=C1)N(C)C(=O)OC2=C(N=CC=C2)C[N+](C)(C)C
InChI
InChI=1S/C18H24N3O2/c1-14-8-10-15(11-9-14)20(2)18(22)23-17-7-6-12-19-16(17)13-21(3,4)5/h6-12H,13H2,1-5H3/q+1
InChIKey
WDNHGLTYJRYJKT-UHFFFAOYSA-N
Compound name
trimethyl-[[3-[methyl-(4-methylphenyl)carbamoyl]oxypyridin-2-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.18686 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19414 174.6
[M+Na]+ 337.17608 180.3
[M-H]- 313.17958 182.9
[M+NH4]+ 332.22068 188.5
[M+K]+ 353.15002 173.2
[M+H-H2O]+ 297.18412 168.0
[M+HCOO]- 359.18506 197.9
[M+CH3COO]- 373.20071 210.7
[M+Na-2H]- 335.16153 182.0
[M]+ 314.18631 177.1
[M]- 314.18741 177.1
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.