CID 3066254

1(2h)-pyridinepropanol, 3,6-dihydro-4-(5-chloro-3-indolyl)-, oxalate (2:1)

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
C1CN(CC=C1C2=CNC3=C2C=C(C=C3)Cl)CCCO
InChI
InChI=1S/C16H19ClN2O/c17-13-2-3-16-14(10-13)15(11-18-16)12-4-7-19(8-5-12)6-1-9-20/h2-4,10-11,18,20H,1,5-9H2
InChIKey
WVVRVUNEYAJGOS-UHFFFAOYSA-N
Compound name
3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.1186 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.125876 167.0
[M+Na]+ 313.107818 175.7
[M-H]- 289.111324 169.0
[M+NH4]+ 308.152423 182.4
[M+K]+ 329.081758 167.8
[M+H-H2O]+ 273.115860 159.2
[M+HCOO]- 335.116801 179.7
[M+CH3COO]- 349.132451 177.3
[M+Na-2H]- 311.093266 169.6
[M]+ 290.11805142 166.9
[M]- 290.11914858 166.9
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

patents stripe