CID 661271

N-((dimethylamino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine monohydrochloride

Structural Information

Molecular Formula
C14H19N4O2
SMILES
CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)N(C)C
InChI
InChI=1S/C14H18N4O2/c1-11(9-12-7-5-4-6-8-12)18-10-13(20-16-18)15-14(19)17(2)3/h4-8,10-11H,9H2,1-3H3/p+1
InChIKey
RJOGSNFJXNUWPU-UHFFFAOYSA-O
Compound name
1,1-dimethyl-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.1508 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15808 161.8
[M+Na]+ 298.14002 174.1
[M+NH4]+ 293.18462 169.0
[M+K]+ 314.11396 172.3
[M-H]- 274.14352 167.5
[M+Na-2H]- 296.12547 169.0
[M]+ 275.15025 165.2
[M]- 275.15135 165.2
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