CID 9587920

2-((5(or 6)-methyl-2-phenyl-4,5,6,7-tetrahydro-2h-isoindol-1-yl)methylene)semicarbazide

Structural Information

Molecular Formula
C17H20N4O
SMILES
CC1CCC2=C(N(C=C2C1)C3=CC=CC=C3)/C=N/NC(=O)N
InChI
InChI=1S/C17H20N4O/c1-12-7-8-15-13(9-12)11-21(14-5-3-2-4-6-14)16(15)10-19-20-17(18)22/h2-6,10-12H,7-9H2,1H3,(H3,18,20,22)/b19-10+
InChIKey
MPTOLEPVIFAAGP-VXLYETTFSA-N
Compound name
[(E)-(5-methyl-2-phenyl-4,5,6,7-tetrahydroisoindol-1-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 170.6
[M+Na]+ 319.15292 180.5
[M+NH4]+ 314.19752 178.1
[M+K]+ 335.12686 175.5
[M-H]- 295.15642 175.5
[M+Na-2H]- 317.13837 176.3
[M]+ 296.16315 173.0
[M]- 296.16425 173.0
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

No patent data available for this compound.