CID 47031

Tl-1482

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CC[N+](C)(C)C1=C(C=CC(=C1OC(=O)NC)C)C(C)C
InChI
InChI=1S/C16H26N2O2/c1-8-18(6,7)14-13(11(2)3)10-9-12(4)15(14)20-16(19)17-5/h9-11H,8H2,1-7H3/p+1
InChIKey
NDCFPKCNIDXMDM-UHFFFAOYSA-O
Compound name
ethyl-dimethyl-[3-methyl-2-(methylcarbamoyloxy)-6-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.20724 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.214516 165.6
[M+Na]+ 302.196458 171.6
[M-H]- 278.199964 171.0
[M+NH4]+ 297.241063 182.5
[M+K]+ 318.170398 165.1
[M+H-H2O]+ 262.204500 162.0
[M+HCOO]- 324.205441 188.0
[M+CH3COO]- 338.221091 205.1
[M+Na-2H]- 300.181906 170.1
[M]+ 279.20669142 168.0
[M]- 279.20778858 168.0
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.