CID 205198

Sydnone imine, n-(aminocarbonyl)-3-(1-methyl-2-phenylethyl)-

Structural Information

Molecular Formula
C12H15N4O2
SMILES
CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)N
InChI
InChI=1S/C12H14N4O2/c1-9(7-10-5-3-2-4-6-10)16-8-11(18-15-16)14-12(13)17/h2-6,8-9H,7H2,1H3,(H2-,13,14,15,17)/p+1
InChIKey
RDTQBQATWBKACY-UHFFFAOYSA-O
Compound name
[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

247.1195 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.126776 155.7
[M+Na]+ 270.108718 161.7
[M-H]- 246.112224 160.5
[M+NH4]+ 265.153323 169.2
[M+K]+ 286.082658 154.6
[M+H-H2O]+ 230.116760 149.3
[M+HCOO]- 292.117701 177.7
[M+CH3COO]- 306.133351 188.9
[M+Na-2H]- 268.094166 162.5
[M]+ 247.11895142 153.9
[M]- 247.12004858 153.9
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