CID 137321897

3-imino-1-phenyl-1,4-diazaspiro[5.5]undecan-5-one

Structural Information

Molecular Formula
C15H19N3O
SMILES
C1CCC2(CC1)C(=O)NC(=N)CN2C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O/c16-13-11-18(12-7-3-1-4-8-12)15(14(19)17-13)9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-11H2,(H2,16,17,19)
InChIKey
FOIWKYIWHCDNKK-UHFFFAOYSA-N
Compound name
3-imino-1-phenyl-1,4-diazaspiro[5.5]undecan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.160076 161.5
[M+Na]+ 280.142018 165.7
[M-H]- 256.145524 164.9
[M+NH4]+ 275.186623 176.1
[M+K]+ 296.115958 160.2
[M+H-H2O]+ 240.150060 151.9
[M+HCOO]- 302.151001 175.6
[M+CH3COO]- 316.166651 170.4
[M+Na-2H]- 278.127466 165.6
[M]+ 257.15225142 150.1
[M]- 257.15334858 150.1
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.