CID 31887

2-naphthalenecarbamic acid, 2-diethylaminoethyl ester

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCN(CC)CCOC(=O)NC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C17H22N2O2/c1-3-19(4-2)11-12-21-17(20)18-16-10-9-14-7-5-6-8-15(14)13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKey
HOORLGHVWMVEKD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-naphthalen-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 168.5
[M+Na]+ 309.157338 173.1
[M-H]- 285.160844 173.5
[M+NH4]+ 304.201943 185.1
[M+K]+ 325.131278 170.9
[M+H-H2O]+ 269.165380 160.3
[M+HCOO]- 331.166321 192.4
[M+CH3COO]- 345.181971 210.0
[M+Na-2H]- 307.142786 173.7
[M]+ 286.16757142 171.4
[M]- 286.16866858 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.