CID 50065

2-(dimethylamino)ethyl o-(heptyloxy)carbanilate hydrochloride

Structural Information

Molecular Formula
C18H30N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OCCN(C)C
InChI
InChI=1S/C18H30N2O3/c1-4-5-6-7-10-14-22-17-12-9-8-11-16(17)19-18(21)23-15-13-20(2)3/h8-9,11-12H,4-7,10,13-15H2,1-3H3,(H,19,21)
InChIKey
HDKMVHPKLSTOBD-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.22565 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23293 182.1
[M+Na]+ 345.21487 184.9
[M-H]- 321.21837 185.7
[M+NH4]+ 340.25947 196.4
[M+K]+ 361.18881 183.7
[M+H-H2O]+ 305.22291 173.4
[M+HCOO]- 367.22385 206.1
[M+CH3COO]- 381.23950 217.5
[M+Na-2H]- 343.20032 183.4
[M]+ 322.22510 188.2
[M]- 322.22620 188.2
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.