CID 42959264

1087784-66-4

Structural Information

Molecular Formula
C16H20ClN3O2
SMILES
C1CCC2=C(C1)C(=C(N2CC3CCCO3)NC(=O)CCl)C#N
InChI
InChI=1S/C16H20ClN3O2/c17-8-15(21)19-16-13(9-18)12-5-1-2-6-14(12)20(16)10-11-4-3-7-22-11/h11H,1-8,10H2,(H,19,21)
InChIKey
NRUFLRSCJADFRI-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-cyano-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.131676 176.3
[M+Na]+ 344.113618 184.8
[M-H]- 320.117124 180.6
[M+NH4]+ 339.158223 191.0
[M+K]+ 360.087558 177.7
[M+H-H2O]+ 304.121660 162.7
[M+HCOO]- 366.122601 186.5
[M+CH3COO]- 380.138251 184.9
[M+Na-2H]- 342.099066 174.7
[M]+ 321.12385142 170.6
[M]- 321.12494858 170.6
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.