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]+ 295.155346 167.6
[M+Na]+ 317.137288 174.1
[M-H]- 293.140794 174.9
[M+NH4]+ 312.181893 183.9
[M+K]+ 333.111228 169.4
[M+H-H2O]+ 277.145330 158.7
[M+HCOO]- 339.146271 192.4
[M+CH3COO]- 353.161921 211.9
[M+Na-2H]- 315.122736 171.4
[M]+ 294.14752142 165.7
[M]- 294.14861858 165.7
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

No patent data available for this compound.