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]+ 261.19615 165.4
[M+Na]+ 283.17809 170.2
[M-H]- 259.18159 168.9
[M+NH4]+ 278.22269 184.0
[M+K]+ 299.15203 167.8
[M+H-H2O]+ 243.18613 157.5
[M+HCOO]- 305.18707 186.4
[M+CH3COO]- 319.20272 203.5
[M+Na-2H]- 281.16354 167.1
[M]+ 260.18832 167.2
[M]- 260.18942 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.