CID 9587921

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

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC1=CCC2=C(N(C=C2C1)C3=CC=CC=C3)/C=N/NC(=O)N
InChI
InChI=1S/C17H18N4O/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/h2-7,10-11H,8-9H2,1H3,(H3,18,20,22)/b19-10+
InChIKey
UZULBPLEAOOLGS-VXLYETTFSA-N
Compound name
[(E)-(5-methyl-2-phenyl-4,7-dihydroisoindol-1-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 169.6
[M+Na]+ 317.13729 180.4
[M+NH4]+ 312.18189 177.2
[M+K]+ 333.11123 175.2
[M-H]- 293.14079 174.8
[M+Na-2H]- 315.12274 176.2
[M]+ 294.14752 172.3
[M]- 294.14862 172.3
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.