CID 5327711

Cp 21

Structural Information

Molecular Formula
C19H15N3O2
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)N
InChI
InChI=1S/C19H15N3O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,20H2,1H3,(H,21,23,24)
InChIKey
RGTAEYDIDMGJLX-UHFFFAOYSA-N
Compound name
3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

306
Patents

317.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.123696 173.6
[M+Na]+ 340.105638 184.9
[M-H]- 316.109144 182.2
[M+NH4]+ 335.150243 189.2
[M+K]+ 356.079578 177.7
[M+H-H2O]+ 300.113680 165.5
[M+HCOO]- 362.114621 196.0
[M+CH3COO]- 376.130271 185.6
[M+Na-2H]- 338.091086 173.6
[M]+ 317.11587142 173.9
[M]- 317.11696858 173.9
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