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]+ 268.14446 164.2
[M+Na]+ 290.12640 175.2
[M-H]- 266.12990 168.3
[M+NH4]+ 285.17100 182.4
[M+K]+ 306.10034 166.4
[M+H-H2O]+ 250.13444 150.9
[M+HCOO]- 312.13538 179.7
[M+CH3COO]- 326.15103 174.2
[M+Na-2H]- 288.11185 166.6
[M]+ 267.13663 155.5
[M]- 267.13773 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.