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]+ 254.128776 160.4
[M+Na]+ 276.110718 171.8
[M-H]- 252.114224 164.7
[M+NH4]+ 271.155323 179.1
[M+K]+ 292.084658 163.1
[M+H-H2O]+ 236.118760 147.2
[M+HCOO]- 298.119701 176.2
[M+CH3COO]- 312.135351 170.8
[M+Na-2H]- 274.096166 163.2
[M]+ 253.12095142 151.3
[M]- 253.12204858 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.