CID 31885

1-naphthalenecarbamic acid, 2-diethylaminoethyl ester, monohydrochloride

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCN(CC)CCOC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C17H22N2O2/c1-3-19(4-2)12-13-21-17(20)18-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)
InChIKey
RDIBZKPSUBFQEP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.5
[M+Na]+ 309.15734 173.1
[M-H]- 285.16084 173.5
[M+NH4]+ 304.20194 185.1
[M+K]+ 325.13128 170.9
[M+H-H2O]+ 269.16538 160.3
[M+HCOO]- 331.16632 192.4
[M+CH3COO]- 345.18197 210.0
[M+Na-2H]- 307.14279 173.7
[M]+ 286.16757 171.4
[M]- 286.16867 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.