CID 135625223

Silicon phthalocyanine

Structural Information

Molecular Formula
C33H19N7
SMILES
C1=CC=C2C(=C1)C3=CC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=NC2=N3)N7)C9=CC=CC=C94
InChI
InChI=1S/C33H19N7/c1-3-11-20-18(9-1)26-17-27-19-10-2-4-12-21(19)29(35-27)37-31-23-14-6-8-16-25(23)33(39-31)40-32-24-15-7-5-13-22(24)30(38-32)36-28(20)34-26/h1-17H,(H2,34,35,36,37,38,39,40)
InChIKey
SKIXPUOOSFSDLT-UHFFFAOYSA-N
Compound name
2,11,20,37,38,39,40-heptazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

122
References

0
Patents

513.17017 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.17745 216.6
[M+Na]+ 536.15939 236.4
[M+NH4]+ 531.20399 225.1
[M+K]+ 552.13333 232.1
[M-H]- 512.16289 220.1
[M+Na-2H]- 534.14484 218.7
[M]+ 513.16962 220.9
[M]- 513.17072 220.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.