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]+ 280.21452 165.6
[M+Na]+ 302.19646 171.6
[M-H]- 278.19996 171.0
[M+NH4]+ 297.24106 182.5
[M+K]+ 318.17040 165.1
[M+H-H2O]+ 262.20450 162.0
[M+HCOO]- 324.20544 188.0
[M+CH3COO]- 338.22109 205.1
[M+Na-2H]- 300.18191 170.1
[M]+ 279.20669 168.0
[M]- 279.20779 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.