CID 188985

N-(2-diethylaminoethyl)-1-naphthylamine oxalate

Structural Information

Molecular Formula
C16H22N2
SMILES
CCN(CC)CCNC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H22N2/c1-3-18(4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,3-4,12-13H2,1-2H3
InChIKey
AMZRCWDZLLMPBU-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

242.1783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 157.6
[M+Na]+ 265.16752 162.7
[M-H]- 241.17102 162.6
[M+NH4]+ 260.21212 176.2
[M+K]+ 281.14146 159.5
[M+H-H2O]+ 225.17556 149.8
[M+HCOO]- 287.17650 182.2
[M+CH3COO]- 301.19215 204.2
[M+Na-2H]- 263.15297 164.5
[M]+ 242.17775 158.8
[M]- 242.17885 158.8
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

patents stripe