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]+ 322.13168 176.3
[M+Na]+ 344.11362 184.8
[M-H]- 320.11712 180.6
[M+NH4]+ 339.15822 191.0
[M+K]+ 360.08756 177.7
[M+H-H2O]+ 304.12166 162.7
[M+HCOO]- 366.12260 186.5
[M+CH3COO]- 380.13825 184.9
[M+Na-2H]- 342.09907 174.7
[M]+ 321.12385 170.6
[M]- 321.12495 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.