CID 114005

63680-73-9

Structural Information

Molecular Formula
C18H31N3O
SMILES
CC(C)NCCCCCNC1=C2C(=C(C=C1)OC)CCCN2
InChI
InChI=1S/C18H31N3O/c1-14(2)19-11-5-4-6-12-20-16-9-10-17(22-3)15-8-7-13-21-18(15)16/h9-10,14,19-21H,4-8,11-13H2,1-3H3
InChIKey
WRQHUCXZEDKNHN-UHFFFAOYSA-N
Compound name
N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.2467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.25398 176.4
[M+Na]+ 328.23592 178.6
[M-H]- 304.23942 176.4
[M+NH4]+ 323.28052 189.8
[M+K]+ 344.20986 174.2
[M+H-H2O]+ 288.24396 168.0
[M+HCOO]- 350.24490 193.3
[M+CH3COO]- 364.26055 211.8
[M+Na-2H]- 326.22137 179.0
[M]+ 305.24615 174.2
[M]- 305.24725 174.2
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.