CID 97130

73825-95-3

Structural Information

Molecular Formula
C19H14N2O5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CN3C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C19H14N2O5/c22-11(9-20-16(23)12-5-1-2-6-13(12)17(20)24)10-21-18(25)14-7-3-4-8-15(14)19(21)26/h1-8,11,22H,9-10H2
InChIKey
PAMYSJPCAPDCNZ-UHFFFAOYSA-N
Compound name
2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

350.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.097546 179.4
[M+Na]+ 373.079488 188.9
[M-H]- 349.082994 185.2
[M+NH4]+ 368.124093 194.6
[M+K]+ 389.053428 183.8
[M+H-H2O]+ 333.087530 172.3
[M+HCOO]- 395.088471 196.6
[M+CH3COO]- 409.104121 211.8
[M+Na-2H]- 371.064936 177.9
[M]+ 350.08972142 181.8
[M]- 350.09081858 181.8
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

patents stripe