CID 5327711

Iron oxide, (spent)

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

360
Patents

317.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 173.6
[M+Na]+ 340.10564 184.9
[M-H]- 316.10914 182.2
[M+NH4]+ 335.15024 189.2
[M+K]+ 356.07958 177.7
[M+H-H2O]+ 300.11368 165.5
[M+HCOO]- 362.11462 196.0
[M+CH3COO]- 376.13027 185.6
[M+Na-2H]- 338.09109 173.6
[M]+ 317.11587 173.9
[M]- 317.11697 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.