CID 45980

Tl-1451

Structural Information

Molecular Formula
C17H29N2O2
SMILES
CC(C)C1=CC(=CC(=C1OC(=O)NC)C(C)C)[N+](C)(C)C
InChI
InChI=1S/C17H28N2O2/c1-11(2)14-9-13(19(6,7)8)10-15(12(3)4)16(14)21-17(20)18-5/h9-12H,1-8H3/p+1
InChIKey
PKVAVJXGRHQZHS-UHFFFAOYSA-O
Compound name
trimethyl-[4-(methylcarbamoyloxy)-3,5-di(propan-2-yl)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.2229 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.230176 169.4
[M+Na]+ 316.212118 174.8
[M-H]- 292.215624 174.8
[M+NH4]+ 311.256723 185.8
[M+K]+ 332.186058 168.7
[M+H-H2O]+ 276.220160 165.8
[M+HCOO]- 338.221101 190.5
[M+CH3COO]- 352.236751 208.9
[M+Na-2H]- 314.197566 172.3
[M]+ 293.22235142 171.6
[M]- 293.22344858 171.6
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.