CID 4935

Proparacaine

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N
InChI
InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKey
KCLANYCVBBTKTO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

463
References

19538
Patents

294.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 173.0
[M+Na]+ 317.18356 177.5
[M-H]- 293.18706 176.8
[M+NH4]+ 312.22816 188.4
[M+K]+ 333.15750 176.5
[M+H-H2O]+ 277.19160 164.9
[M+HCOO]- 339.19254 196.9
[M+CH3COO]- 353.20819 212.9
[M+Na-2H]- 315.16901 173.5
[M]+ 294.19379 177.8
[M]- 294.19489 177.8
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