CID 25344

1-naphthalenepropylamine, n-(2-diethylaminoethyl)-beta-(tetrahydrofurfuryl)-, bioxalate

Structural Information

Molecular Formula
C24H36N2O
SMILES
CCN(CC)CCNCC(CC1CCCO1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C24H36N2O/c1-3-26(4-2)15-14-25-19-20(18-23-12-8-16-27-23)17-22-11-7-10-21-9-5-6-13-24(21)22/h5-7,9-11,13,20,23,25H,3-4,8,12,14-19H2,1-2H3
InChIKey
ACTDJYSOAKJYKF-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.28278 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29006 196.6
[M+Na]+ 391.27200 196.9
[M-H]- 367.27550 203.6
[M+NH4]+ 386.31660 209.6
[M+K]+ 407.24594 193.8
[M+H-H2O]+ 351.28004 187.1
[M+HCOO]- 413.28098 215.8
[M+CH3COO]- 427.29663 227.1
[M+Na-2H]- 389.25745 196.5
[M]+ 368.28223 197.2
[M]- 368.28333 197.2
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.