CID 197732

63214-60-8

Structural Information

Molecular Formula
C14H19N3O
SMILES
CN1CN(C2(C1=O)CCNCC2)C3=CC=CC=C3
InChI
InChI=1S/C14H19N3O/c1-16-11-17(12-5-3-2-4-6-12)14(13(16)18)7-9-15-10-8-14/h2-6,15H,7-11H2,1H3
InChIKey
IGPACMIJADAUNA-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

245.15282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 159.4
[M+Na]+ 268.142038 165.5
[M-H]- 244.145544 162.1
[M+NH4]+ 263.186643 175.6
[M+K]+ 284.115978 160.7
[M+H-H2O]+ 228.150080 149.8
[M+HCOO]- 290.151021 173.6
[M+CH3COO]- 304.166671 169.2
[M+Na-2H]- 266.127486 161.4
[M]+ 245.15227142 151.7
[M]- 245.15336858 151.7
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

patents stripe