CID 46008

Carbamic acid, n-methyl-n-(methylcarbamyl)-, 2-(trimethylammonio)methylphenyl ester, iodide

Structural Information

Molecular Formula
C14H22N3O3
SMILES
CNC(=O)N(C)C(=O)OC1=CC=CC=C1C[N+](C)(C)C
InChI
InChI=1S/C14H21N3O3/c1-15-13(18)16(2)14(19)20-12-9-7-6-8-11(12)10-17(3,4)5/h6-9H,10H2,1-5H3/p+1
InChIKey
AREOCRGHWJIONI-UHFFFAOYSA-O
Compound name
trimethyl-[[2-[methyl(methylcarbamoyl)carbamoyl]oxyphenyl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1661 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17338 162.9
[M+Na]+ 303.15532 167.5
[M-H]- 279.15882 169.4
[M+NH4]+ 298.19992 179.4
[M+K]+ 319.12926 162.8
[M+H-H2O]+ 263.16336 158.4
[M+HCOO]- 325.16430 187.9
[M+CH3COO]- 339.17995 204.7
[M+Na-2H]- 301.14077 169.6
[M]+ 280.16555 164.8
[M]- 280.16665 164.8
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.