CID 4546960

1-(1-methylnonyl)-5-(1-methylnonylamino)indoline dihydrochloride

Structural Information

Molecular Formula
C28H50N2
SMILES
CCCCCCCCC(C)NC1=CC2=C(C=C1)N(CC2)C(C)CCCCCCCC
InChI
InChI=1S/C28H50N2/c1-5-7-9-11-13-15-17-24(3)29-27-19-20-28-26(23-27)21-22-30(28)25(4)18-16-14-12-10-8-6-2/h19-20,23-25,29H,5-18,21-22H2,1-4H3
InChIKey
UHQNAXIWFPAWJU-UHFFFAOYSA-N
Compound name
N,1-di(decan-2-yl)-2,3-dihydroindol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.3974 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.40468 217.8
[M+Na]+ 437.38662 217.5
[M-H]- 413.39012 217.7
[M+NH4]+ 432.43122 229.5
[M+K]+ 453.36056 211.3
[M+H-H2O]+ 397.39466 208.2
[M+HCOO]- 459.39560 232.6
[M+CH3COO]- 473.41125 237.1
[M+Na-2H]- 435.37207 211.8
[M]+ 414.39685 221.6
[M]- 414.39795 221.6
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.