CID 45891

1-naphthylamine, 1,2,3,4-tetrahydro-8-chloro-n,n-dimethyl-5-dodecyloxy-, hydrochloride

Structural Information

Molecular Formula
C24H40ClNO
SMILES
CCCCCCCCCCCCOC1=C2CCCC(C2=C(C=C1)Cl)N(C)C
InChI
InChI=1S/C24H40ClNO/c1-4-5-6-7-8-9-10-11-12-13-19-27-23-18-17-21(25)24-20(23)15-14-16-22(24)26(2)3/h17-18,22H,4-16,19H2,1-3H3
InChIKey
MRVGARGVUAKXHL-UHFFFAOYSA-N
Compound name
8-chloro-5-dodecoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.27985 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.28713 204.0
[M+Na]+ 416.26907 207.0
[M-H]- 392.27257 207.2
[M+NH4]+ 411.31367 218.0
[M+K]+ 432.24301 201.1
[M+H-H2O]+ 376.27711 196.0
[M+HCOO]- 438.27805 217.5
[M+CH3COO]- 452.29370 231.6
[M+Na-2H]- 414.25452 202.1
[M]+ 393.27930 210.2
[M]- 393.28040 210.2
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.