CID 176158

Sb 216763

Structural Information

Molecular Formula
C19H12Cl2N2O2
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
InChIKey
JCSGFHVFHSKIJH-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

403
References

2154
Patents

370.0276 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.034876 186.3
[M+Na]+ 393.016818 200.3
[M-H]- 369.020324 194.3
[M+NH4]+ 388.061423 201.8
[M+K]+ 408.990758 191.1
[M+H-H2O]+ 353.024860 178.7
[M+HCOO]- 415.025801 198.2
[M+CH3COO]- 429.041451 197.9
[M+Na-2H]- 391.002266 184.1
[M]+ 370.02705142 191.7
[M]- 370.02814858 191.7
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