CID 3025

Dibucaine

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC
InChI
InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKey
PUFQVTATUTYEAL-UHFFFAOYSA-N
Compound name
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1168
References

26257
Patents

343.22598 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23326 185.8
[M+Na]+ 366.21520 196.4
[M+NH4]+ 361.25980 192.3
[M+K]+ 382.18914 188.9
[M-H]- 342.21870 188.6
[M+Na-2H]- 364.20065 190.5
[M]+ 343.22543 187.9
[M]- 343.22653 187.9
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