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 185.8
[M+Na]+ 361.22502 187.3
[M-H]- 337.22852 190.0
[M+NH4]+ 356.26962 196.5
[M+K]+ 377.19896 182.5
[M+H-H2O]+ 321.23306 175.3
[M+HCOO]- 383.23400 200.9
[M+CH3COO]- 397.24965 214.7
[M+Na-2H]- 359.21047 188.8
[M]+ 338.23525 182.6
[M]- 338.23635 182.6
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.