CID 208461

T 2442

Structural Information

Molecular Formula
C19H33N2O2
SMILES
CC[N+](C)(CC)CCNC(=O)COC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C19H32N2O2/c1-7-21(6,8-2)12-11-20-19(22)14-23-18-13-16(5)9-10-17(18)15(3)4/h9-10,13,15H,7-8,11-12,14H2,1-6H3/p+1
InChIKey
VKAZPMRDQDOBCU-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.26148 180.6
[M+Na]+ 344.24342 184.3
[M-H]- 320.24692 185.0
[M+NH4]+ 339.28802 195.4
[M+K]+ 360.21736 177.0
[M+H-H2O]+ 304.25146 176.0
[M+HCOO]- 366.25240 201.9
[M+CH3COO]- 380.26805 213.6
[M+Na-2H]- 342.22887 184.1
[M]+ 321.25365 183.8
[M]- 321.25475 183.8
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.