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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	365.27986	196.5
[M+Na]+	387.26180	197.7
[M-H]-	363.26530	199.5
[M+NH4]+	382.30640	208.9
[M+K]+	403.23574	196.3
[M+H-H2O]+	347.26984	187.3
[M+HCOO]-	409.27078	218.3
[M+CH3COO]-	423.28643	227.3
[M+Na-2H]-	385.24725	194.9
[M]+	364.27203	203.0
[M]-	364.27313	203.0

Literature stripe

literature stripe

Patent stripe

patents stripe