CID 6435284

1-naphthaleneethylamine, beta-(2-butenyl)-n-(2-morpholinoethyl)-, dihydrochloride, hemihydrat

Structural Information

Molecular Formula
C22H30N2O
SMILES
C/C=C/CC(CNCCN1CCOCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H30N2O/c1-2-3-7-20(18-23-12-13-24-14-16-25-17-15-24)22-11-6-9-19-8-4-5-10-21(19)22/h2-6,8-11,20,23H,7,12-18H2,1H3/b3-2+
InChIKey
UJODSFTVSYGFPB-NSCUHMNNSA-N
Compound name
(E)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylhex-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 187.5
[M+Na]+ 361.22502 199.5
[M+NH4]+ 356.26962 195.5
[M+K]+ 377.19896 190.2
[M-H]- 337.22852 193.7
[M+Na-2H]- 359.21047 193.3
[M]+ 338.23525 190.9
[M]- 338.23635 190.9
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.