CID 159667

Nicotinoylprocaine

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C19H23N3O3/c1-3-22(4-2)12-13-25-19(24)15-7-9-17(10-8-15)21-18(23)16-6-5-11-20-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKey
NTPIQBSWTZGMTC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-(pyridine-3-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

341.17395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.181226 182.7
[M+Na]+ 364.163168 186.2
[M-H]- 340.166674 188.5
[M+NH4]+ 359.207773 194.1
[M+K]+ 380.137108 184.0
[M+H-H2O]+ 324.171210 172.3
[M+HCOO]- 386.172151 205.6
[M+CH3COO]- 400.187801 219.0
[M+Na-2H]- 362.148616 185.3
[M]+ 341.17340142 185.6
[M]- 341.17449858 185.6
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