CID 85555

16707-41-8

Structural Information

Molecular Formula
C17H10N2O3
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N4C(=O)C=CC4=O
InChI
InChI=1S/C17H10N2O3/c20-15-9-10-16(21)19(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)22-17/h1-10H
InChIKey
BGGCPIFVRJFAKF-UHFFFAOYSA-N
Compound name
1-[4-(1,3-benzoxazol-2-yl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1821
Patents

290.06915 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07643 162.7
[M+Na]+ 313.05837 174.6
[M-H]- 289.06187 173.2
[M+NH4]+ 308.10297 178.7
[M+K]+ 329.03231 170.5
[M+H-H2O]+ 273.06641 154.6
[M+HCOO]- 335.06735 186.1
[M+CH3COO]- 349.08300 176.4
[M+Na-2H]- 311.04382 166.1
[M]+ 290.06860 166.7
[M]- 290.06970 166.7
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