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

6
Patents

350.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09755 179.4
[M+Na]+ 373.07949 188.9
[M-H]- 349.08299 185.2
[M+NH4]+ 368.12409 194.6
[M+K]+ 389.05343 183.8
[M+H-H2O]+ 333.08753 172.3
[M+HCOO]- 395.08847 196.6
[M+CH3COO]- 409.10412 211.8
[M+Na-2H]- 371.06494 177.9
[M]+ 350.08972 181.8
[M]- 350.09082 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