CID 745761

100880-61-3

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)N
InChI
InChI=1S/C15H12N2O2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9,16H2
InChIKey
FPSRUFWSIDRGBT-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

252.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 155.3
[M+Na]+ 275.079088 165.1
[M-H]- 251.082594 162.0
[M+NH4]+ 270.123693 173.6
[M+K]+ 291.053028 160.0
[M+H-H2O]+ 235.087130 147.8
[M+HCOO]- 297.088071 178.4
[M+CH3COO]- 311.103721 168.2
[M+Na-2H]- 273.064536 158.9
[M]+ 252.08932142 154.8
[M]- 252.09041858 154.8
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