CID 46924

Carbamic acid, (p-methoxyphenyl)-, m-(trimethylammonio)phenyl ester, iodide

Structural Information

Molecular Formula
C17H21N2O3
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H20N2O3/c1-19(2,3)14-6-5-7-16(12-14)22-17(20)18-13-8-10-15(21-4)11-9-13/h5-12H,1-4H3/p+1
InChIKey
KVDFUKDCNUXPQG-UHFFFAOYSA-O
Compound name
[3-[(4-methoxyphenyl)carbamoyloxy]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1552 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16248 169.6
[M+Na]+ 324.14442 175.4
[M-H]- 300.14792 178.0
[M+NH4]+ 319.18902 184.7
[M+K]+ 340.11836 168.0
[M+H-H2O]+ 284.15246 164.1
[M+HCOO]- 346.15340 194.2
[M+CH3COO]- 360.16905 203.8
[M+Na-2H]- 322.12987 177.9
[M]+ 301.15465 171.4
[M]- 301.15575 171.4
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.