CID 1268141

1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C18H12N2O2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C=CC4=O
InChI
InChI=1S/C18H12N2O2S/c1-11-2-7-14-15(10-11)23-18(19-14)12-3-5-13(6-4-12)20-16(21)8-9-17(20)22/h2-10H,1H3
InChIKey
CZQCIQYROQWOQJ-UHFFFAOYSA-N
Compound name
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

320.06195 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06923 174.0
[M+Na]+ 343.05117 187.3
[M-H]- 319.05467 184.6
[M+NH4]+ 338.09577 191.6
[M+K]+ 359.02511 181.0
[M+H-H2O]+ 303.05921 166.9
[M+HCOO]- 365.06015 193.4
[M+CH3COO]- 379.07580 187.3
[M+Na-2H]- 341.03662 173.1
[M]+ 320.06140 179.7
[M]- 320.06250 179.7
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