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]+ 294.23018 169.4
[M+Na]+ 316.21212 174.8
[M-H]- 292.21562 174.8
[M+NH4]+ 311.25672 185.8
[M+K]+ 332.18606 168.7
[M+H-H2O]+ 276.22016 165.8
[M+HCOO]- 338.22110 190.5
[M+CH3COO]- 352.23675 208.9
[M+Na-2H]- 314.19757 172.3
[M]+ 293.22235 171.6
[M]- 293.22345 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.