CID 2769422

Hexa(1h-pyrrol-1-yl)benzene

Structural Information

Molecular Formula
C30H24N6
SMILES
C1=CN(C=C1)C2=C(C(=C(C(=C2N3C=CC=C3)N4C=CC=C4)N5C=CC=C5)N6C=CC=C6)N7C=CC=C7
InChI
InChI=1S/C30H24N6/c1-2-14-31(13-1)25-26(32-15-3-4-16-32)28(34-19-7-8-20-34)30(36-23-11-12-24-36)29(35-21-9-10-22-35)27(25)33-17-5-6-18-33/h1-24H
InChIKey
LLQRRQZTMPJPMZ-UHFFFAOYSA-N
Compound name
1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

468.20624 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.21352 192.2
[M+Na]+ 491.19546 202.4
[M-H]- 467.19896 212.3
[M+NH4]+ 486.24006 202.1
[M+K]+ 507.16940 197.5
[M+H-H2O]+ 451.20350 182.6
[M+HCOO]- 513.20444 217.5
[M+CH3COO]- 527.22009 203.6
[M+Na-2H]- 489.18091 182.8
[M]+ 468.20569 199.1
[M]- 468.20679 199.1
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