CID 5327686

Mkc-1

Structural Information

Molecular Formula
C22H16N4O4
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C
InChI
InChI=1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28)
InChIKey
OVSKGTONMLKNPZ-UHFFFAOYSA-N
Compound name
3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

442
Patents

400.11716 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12444 194.6
[M+Na]+ 423.10638 205.1
[M-H]- 399.10988 204.7
[M+NH4]+ 418.15098 207.5
[M+K]+ 439.08032 194.6
[M+H-H2O]+ 383.11442 190.9
[M+HCOO]- 445.11536 216.3
[M+CH3COO]- 459.13101 216.5
[M+Na-2H]- 421.09183 195.4
[M]+ 400.11661 197.7
[M]- 400.11771 197.7
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