CID 39869437

1087784-16-4

Structural Information

Molecular Formula
C13H13ClN2O
SMILES
C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CCl
InChI
InChI=1S/C13H13ClN2O/c14-7-13(17)16-6-5-12-10(8-16)9-3-1-2-4-11(9)15-12/h1-4,15H,5-8H2
InChIKey
ACUYDSXGSCBUJP-UHFFFAOYSA-N
Compound name
2-chloro-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07164 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07892 152.5
[M+Na]+ 271.06086 166.6
[M+NH4]+ 266.10546 161.7
[M+K]+ 287.03480 160.5
[M-H]- 247.06436 154.1
[M+Na-2H]- 269.04631 157.6
[M]+ 248.07109 155.2
[M]- 248.07219 155.2
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.