CID 46562

Dimethylcarbamic ester of hordenine methiodide

Structural Information

Molecular Formula
C14H23N2O2
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)CC[N+](C)(C)C
InChI
InChI=1S/C14H23N2O2/c1-15(2)14(17)18-13-8-6-12(7-9-13)10-11-16(3,4)5/h6-9H,10-11H2,1-5H3/q+1
InChIKey
ZWGKMLOUCNUVFP-UHFFFAOYSA-N
Compound name
2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.18323 157.6
[M+Na]+ 274.16517 163.1
[M-H]- 250.16867 164.1
[M+NH4]+ 269.20977 175.8
[M+K]+ 290.13911 157.8
[M+H-H2O]+ 234.17321 153.5
[M+HCOO]- 296.17415 182.2
[M+CH3COO]- 310.18980 199.4
[M+Na-2H]- 272.15062 164.9
[M]+ 251.17540 160.5
[M]- 251.17650 160.5
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.