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]+ 291.12588 167.0
[M+Na]+ 313.10782 175.7
[M-H]- 289.11132 169.0
[M+NH4]+ 308.15242 182.4
[M+K]+ 329.08176 167.8
[M+H-H2O]+ 273.11586 159.2
[M+HCOO]- 335.11680 179.7
[M+CH3COO]- 349.13245 177.3
[M+Na-2H]- 311.09327 169.6
[M]+ 290.11805 166.9
[M]- 290.11915 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