CID 50045

2-dimethylaminoethyl n-(3-propoxyphenyl)carbamate

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCOC1=CC=CC(=C1)NC(=O)OCCN(C)C
InChI
InChI=1S/C14H22N2O3/c1-4-9-18-13-7-5-6-12(11-13)15-14(17)19-10-8-16(2)3/h5-7,11H,4,8-10H2,1-3H3,(H,15,17)
InChIKey
VJVHBXQTFCSFGV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(3-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

266.16306 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 163.8
[M+Na]+ 289.152278 168.3
[M-H]- 265.155784 168.2
[M+NH4]+ 284.196883 180.4
[M+K]+ 305.126218 168.1
[M+H-H2O]+ 249.160320 155.9
[M+HCOO]- 311.161261 189.1
[M+CH3COO]- 325.176911 205.6
[M+Na-2H]- 287.137726 167.1
[M]+ 266.16251142 168.4
[M]- 266.16360858 168.4
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

No patent data available for this compound.