CID 45968

Tl-1465

Structural Information

Molecular Formula
C19H25N2O2
SMILES
CC(C)C1=C(C=CC(=C1)OC(=O)NC2=CC=CC=C2)[N+](C)(C)C
InChI
InChI=1S/C19H24N2O2/c1-14(2)17-13-16(11-12-18(17)21(3,4)5)23-19(22)20-15-9-7-6-8-10-15/h6-14H,1-5H3/p+1
InChIKey
QHYUSNNYQULMFN-UHFFFAOYSA-O
Compound name
trimethyl-[4-(phenylcarbamoyloxy)-2-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1916 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19888 175.1
[M+Na]+ 336.18082 179.9
[M-H]- 312.18432 183.2
[M+NH4]+ 331.22542 189.7
[M+K]+ 352.15476 172.0
[M+H-H2O]+ 296.18886 169.6
[M+HCOO]- 358.18980 197.8
[M+CH3COO]- 372.20545 208.5
[M+Na-2H]- 334.16627 181.1
[M]+ 313.19105 175.6
[M]- 313.19215 175.6
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.