CID 15955967

1'-ethyl-2-imino-2'-oxo-spiro[cyclohexane-5,3'-indoline]-1-carbonitrile

Structural Information

Molecular Formula
C16H17N3O
SMILES
CCN1C2=CC=CC=C2C3(C1=O)CCC(=N)C(C3)C#N
InChI
InChI=1S/C16H17N3O/c1-2-19-14-6-4-3-5-12(14)16(15(19)20)8-7-13(18)11(9-16)10-17/h3-6,11,18H,2,7-9H2,1H3
InChIKey
FGKWNAQZSGBLJU-UHFFFAOYSA-N
Compound name
1'-ethyl-2-imino-2'-oxospiro[cyclohexane-5,3'-indole]-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.13718 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 164.2
[M+Na]+ 290.126398 175.2
[M-H]- 266.129904 168.3
[M+NH4]+ 285.171003 182.4
[M+K]+ 306.100338 166.4
[M+H-H2O]+ 250.134440 150.9
[M+HCOO]- 312.135381 179.7
[M+CH3COO]- 326.151031 174.2
[M+Na-2H]- 288.111846 166.6
[M]+ 267.13663142 155.5
[M]- 267.13772858 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.