CID 19668

Betoxycaine

Structural Information

Molecular Formula
C19H32N2O4
SMILES
CCCCOC1=C(C=C(C=C1)C(=O)OCCOCCN(CC)CC)N
InChI
InChI=1S/C19H32N2O4/c1-4-7-11-24-18-9-8-16(15-17(18)20)19(22)25-14-13-23-12-10-21(5-2)6-3/h8-9,15H,4-7,10-14,20H2,1-3H3
InChIKey
CXYOBRKOFHQONJ-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2258
Patents

352.2362 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.243476 189.1
[M+Na]+ 375.225418 192.1
[M-H]- 351.228924 192.3
[M+NH4]+ 370.270023 202.0
[M+K]+ 391.199358 191.1
[M+H-H2O]+ 335.233460 180.2
[M+HCOO]- 397.234401 212.2
[M+CH3COO]- 411.250051 223.9
[M+Na-2H]- 373.210866 188.2
[M]+ 352.23565142 196.4
[M]- 352.23674858 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe