CID 60374

1h-indole, 5-ethoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCOC1=CC2=C(C=C1)NC=C2C3=CCNCC3
InChI
InChI=1S/C15H18N2O/c1-2-18-12-3-4-15-13(9-12)14(10-17-15)11-5-7-16-8-6-11/h3-5,9-10,16-17H,2,6-8H2,1H3
InChIKey
JOBHCSKHWLQADA-UHFFFAOYSA-N
Compound name
5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.3
[M+Na]+ 265.13112 162.8
[M-H]- 241.13462 157.5
[M+NH4]+ 260.17572 171.6
[M+K]+ 281.10506 156.7
[M+H-H2O]+ 225.13916 147.2
[M+HCOO]- 287.14010 173.1
[M+CH3COO]- 301.15575 166.2
[M+Na-2H]- 263.11657 159.8
[M]+ 242.14135 152.4
[M]- 242.14245 152.4
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