CID 1235479

2-(2,6-diisopropylphenyl)-5-amino-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)N
InChI
InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
InChIKey
NRPIRIUWEKTNGQ-UHFFFAOYSA-N
Compound name
5-amino-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1310
Patents

322.16812 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.175396 178.5
[M+Na]+ 345.157338 187.1
[M-H]- 321.160844 185.2
[M+NH4]+ 340.201943 194.3
[M+K]+ 361.131278 182.1
[M+H-H2O]+ 305.165380 170.9
[M+HCOO]- 367.166321 197.7
[M+CH3COO]- 381.181971 216.3
[M+Na-2H]- 343.142786 175.7
[M]+ 322.16757142 179.2
[M]- 322.16866858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe