CID 162231

Amoxecaine

Structural Information

Molecular Formula
C17H29N3O2
SMILES
CCN(CC)CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H29N3O2/c1-4-19(5-2)11-12-20(6-3)13-14-22-17(21)15-7-9-16(18)10-8-15/h7-10H,4-6,11-14,18H2,1-3H3
InChIKey
GFFFJSWQOUVZCY-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl-ethylamino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

295
Patents

307.22598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.233256 179.1
[M+Na]+ 330.215198 181.6
[M-H]- 306.218704 183.8
[M+NH4]+ 325.259803 194.0
[M+K]+ 346.189138 181.2
[M+H-H2O]+ 290.223240 170.2
[M+HCOO]- 352.224181 204.0
[M+CH3COO]- 366.239831 221.1
[M+Na-2H]- 328.200646 179.3
[M]+ 307.22543142 182.9
[M]- 307.22652858 182.9
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