CID 3088177

N-((p-aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride

Structural Information

Molecular Formula
C18H20N5O2
SMILES
CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)N
InChI
InChI=1S/C18H19N5O2/c1-13(11-14-5-3-2-4-6-14)23-12-17(25-22-23)21-18(24)20-16-9-7-15(19)8-10-16/h2-10,12-13,19,22H,11H2,1H3,(H,21,24)/p+1
InChIKey
VDZXXTFZKYSMQC-UHFFFAOYSA-O
Compound name
1-(4-aminophenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.1617 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16898 178.4
[M+Na]+ 361.15092 191.3
[M+NH4]+ 356.19552 185.2
[M+K]+ 377.12486 188.5
[M-H]- 337.15442 186.7
[M+Na-2H]- 359.13637 187.4
[M]+ 338.16115 182.6
[M]- 338.16225 182.6
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