CID 636278

Phthalocyanine lead

Structural Information

Molecular Formula
C32H16N8Pb
SMILES
C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Pb]N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19
InChI
InChI=1S/C32H16N8.Pb/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
InChIKey
WSQYJDCCFQPFJC-UHFFFAOYSA-N
Compound name
9,18,27,36,37,39,40,41-octaza-38lambda2-plumbadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

720.12646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.13374 242.4
[M+Na]+ 743.11568 261.9
[M+NH4]+ 738.16028 249.6
[M+K]+ 759.08962 256.0
[M-H]- 719.11918 245.1
[M+Na-2H]- 741.10113 241.7
[M]+ 720.12591 246.3
[M]- 720.12701 246.3
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

No patent data available for this compound.