CID 50266

Carbizocaine

Structural Information

Molecular Formula
C21H36N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)CN(CC)CC
InChI
InChI=1S/C21H36N2O3/c1-5-8-9-10-13-16-25-20-15-12-11-14-19(20)22-21(24)26-18(4)17-23(6-2)7-3/h11-12,14-15,18H,5-10,13,16-17H2,1-4H3,(H,22,24)
InChIKey
PYSAVFUPLJMDHW-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

135
Patents

364.27258 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.27986 194.5
[M+Na]+ 387.26180 201.9
[M+NH4]+ 382.30640 199.6
[M+K]+ 403.23574 195.6
[M-H]- 363.26530 196.0
[M+Na-2H]- 385.24725 197.2
[M]+ 364.27203 195.6
[M]- 364.27313 195.6
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