CID 5411

Tetracaine

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
InChI
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKey
GKCBAIGFKIBETG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3018
References

71904
Patents

264.18378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 165.4
[M+Na]+ 287.17300 169.5
[M-H]- 263.17650 169.6
[M+NH4]+ 282.21760 182.1
[M+K]+ 303.14694 168.4
[M+H-H2O]+ 247.18104 157.5
[M+HCOO]- 309.18198 190.1
[M+CH3COO]- 323.19763 207.2
[M+Na-2H]- 285.15845 168.2
[M]+ 264.18323 169.0
[M]- 264.18433 169.0
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