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 168.8
[M+Na]+ 324.14442 183.1
[M+NH4]+ 319.18902 177.4
[M+K]+ 340.11836 177.4
[M-H]- 300.14792 175.3
[M+Na-2H]- 322.12987 178.6
[M]+ 301.15465 173.1
[M]- 301.15575 173.1
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.