CID 15955966

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

Structural Information

Molecular Formula
C15H15N3O
SMILES
CN1C2=CC=CC=C2C3(C1=O)CCC(=N)C(C3)C#N
InChI
InChI=1S/C15H15N3O/c1-18-13-5-3-2-4-11(13)15(14(18)19)7-6-12(17)10(8-15)9-16/h2-5,10,17H,6-8H2,1H3
InChIKey
FLCDNIATAKZEET-UHFFFAOYSA-N
Compound name
2-imino-1'-methyl-2'-oxospiro[cyclohexane-5,3'-indole]-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 160.4
[M+Na]+ 276.11072 171.8
[M-H]- 252.11422 164.7
[M+NH4]+ 271.15532 179.1
[M+K]+ 292.08466 163.1
[M+H-H2O]+ 236.11876 147.2
[M+HCOO]- 298.11970 176.2
[M+CH3COO]- 312.13535 170.8
[M+Na-2H]- 274.09617 163.2
[M]+ 253.12095 151.3
[M]- 253.12205 151.3
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.