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]+ 258.16008 161.5
[M+Na]+ 280.14202 165.7
[M-H]- 256.14552 164.9
[M+NH4]+ 275.18662 176.1
[M+K]+ 296.11596 160.2
[M+H-H2O]+ 240.15006 151.9
[M+HCOO]- 302.15100 175.6
[M+CH3COO]- 316.16665 170.4
[M+Na-2H]- 278.12747 165.6
[M]+ 257.15225 150.1
[M]- 257.15335 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.