CID 67471

Dibenzo[a,l]pentacene

Structural Information

Molecular Formula
C30H18
SMILES
C1=CC=C2C(=C1)C=CC3=CC4=CC5=C(C=C6C=CC7=CC=CC=C7C6=C5)C=C4C=C32
InChI
InChI=1S/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H
InChIKey
XSTMLGGLUNLJRY-UHFFFAOYSA-N
Compound name
heptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

378.14084 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14812 194.0
[M+Na]+ 401.13006 219.2
[M+NH4]+ 396.17466 208.0
[M+K]+ 417.10400 203.1
[M-H]- 377.13356 204.6
[M+Na-2H]- 399.11551 205.9
[M]+ 378.14029 201.7
[M]- 378.14139 201.7
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