CID 4641411

Silicon 2 3-naphthalocyanine dihydroxide

Structural Information

Molecular Formula
C48H26N8O2Si
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C8N5[Si](N9C(=NC3=N4)C1=CC2=CC=CC=C2C=C1C9=NC1=NC(=N8)C2=CC3=CC=CC=C3C=C21)(O)O
InChI
InChI=1S/C48H26N8O2Si/c57-59(58)55-45-37-21-29-13-5-6-14-30(29)22-38(37)47(55)53-43-35-19-27-11-3-4-12-28(27)20-36(35)44(50-43)54-48-40-24-32-16-8-7-15-31(32)23-39(40)46(56(48)59)52-42-34-18-26-10-2-1-9-25(26)17-33(34)41(49-42)51-45/h1-24,57-58H
InChIKey
TWXYEPNVTJIKJY-UHFFFAOYSA-N
Compound name
54,54-dihydroxy-13,26,39,52,53,55,56,57-octaza-54-silatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

774.1948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.20208 259.4
[M+Na]+ 797.18402 280.7
[M+NH4]+ 792.22862 267.4
[M+K]+ 813.15796 275.5
[M-H]- 773.18752 265.3
[M+Na-2H]- 795.16947 263.7
[M]+ 774.19425 264.9
[M]- 774.19535 264.9
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.