CID 11326613

Chromopyrrolic acid

Structural Information

Molecular Formula
C22H15N3O4
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O
InChI
InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
InChIKey
FZDVNXHYGMEEDT-UHFFFAOYSA-N
Compound name
3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

28
Patents

385.10626 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11354 186.1
[M+Na]+ 408.09548 195.3
[M-H]- 384.09898 191.1
[M+NH4]+ 403.14008 197.4
[M+K]+ 424.06942 187.9
[M+H-H2O]+ 368.10352 179.6
[M+HCOO]- 430.10446 201.5
[M+CH3COO]- 444.12011 195.2
[M+Na-2H]- 406.08093 184.0
[M]+ 385.10571 186.5
[M]- 385.10681 186.5
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