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 165.4
[M+Na]+ 298.14002 170.7
[M-H]- 274.14352 171.9
[M+NH4]+ 293.18462 178.7
[M+K]+ 314.11396 164.9
[M+H-H2O]+ 258.14806 158.6
[M+HCOO]- 320.14900 187.9
[M+CH3COO]- 334.16465 198.2
[M+Na-2H]- 296.12547 171.4
[M]+ 275.15025 166.4
[M]- 275.15135 166.4
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