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

124
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 183.2
[M+Na]+ 536.15939 194.5
[M-H]- 512.16289 184.8
[M+NH4]+ 531.20399 192.3
[M+K]+ 552.13333 187.1
[M+H-H2O]+ 496.16743 177.0
[M+HCOO]- 558.16837 192.4
[M+CH3COO]- 572.18402 190.1
[M+Na-2H]- 534.14484 186.2
[M]+ 513.16962 189.6
[M]- 513.17072 189.6
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.