CID 71933

D-sydnocarb

Structural Information

Molecular Formula
C18H19N4O2
SMILES
CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/p+1
InChIKey
OWFUPROYPKGHMH-UHFFFAOYSA-O
Compound name
1-phenyl-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

105
References

728
Patents

323.1508 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.158076 177.1
[M+Na]+ 346.140018 181.5
[M-H]- 322.143524 185.0
[M+NH4]+ 341.184623 187.1
[M+K]+ 362.113958 172.8
[M+H-H2O]+ 306.148060 169.1
[M+HCOO]- 368.149001 198.9
[M+CH3COO]- 382.164651 202.9
[M+Na-2H]- 344.125466 184.0
[M]+ 323.15025142 175.7
[M]- 323.15134858 175.7
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