CID 477703

N-(1-adamantyl)-4-nitrophthalimide

Structural Information

Molecular Formula
C18H18N2O4
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C18H18N2O4/c21-16-14-2-1-13(20(23)24)6-15(14)17(22)19(16)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2
InChIKey
SRFTWALMTYIPRY-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-5-nitroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.12665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 163.6
[M+Na]+ 349.11587 165.2
[M-H]- 325.11937 161.6
[M+NH4]+ 344.16047 184.1
[M+K]+ 365.08981 157.1
[M+H-H2O]+ 309.12391 159.3
[M+HCOO]- 371.12485 169.2
[M+CH3COO]- 385.14050 211.1
[M+Na-2H]- 347.10132 173.0
[M]+ 326.12610 162.5
[M]- 326.12720 162.5
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.