CID 43100

1-dipropylaminoacetylindoline

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCCN(CCC)CC(=O)N1CCC2=CC=CC=C21
InChI
InChI=1S/C16H24N2O/c1-3-10-17(11-4-2)13-16(19)18-12-9-14-7-5-6-8-15(14)18/h5-8H,3-4,9-13H2,1-2H3
InChIKey
BPHSRJWQPSMOJS-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroindol-1-yl)-2-(dipropylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 165.4
[M+Na]+ 283.178088 170.2
[M-H]- 259.181594 168.9
[M+NH4]+ 278.222693 184.0
[M+K]+ 299.152028 167.8
[M+H-H2O]+ 243.186130 157.5
[M+HCOO]- 305.187071 186.4
[M+CH3COO]- 319.202721 203.5
[M+Na-2H]- 281.163536 167.1
[M]+ 260.18832142 167.2
[M]- 260.18941858 167.2
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.