CID 433865

Copper(ii) phthalocyanine

Structural Information

Molecular Formula
C32H16N8
SMILES
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=CC=CC=C76)C8=CC=CC=C85)C9=CC=CC=C94
InChI
InChI=1S/C32H16N8/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
InChIKey
LOWPZDCTVDWTBN-UHFFFAOYSA-N
Compound name
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

331
References

39124
Patents

512.1498 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.15708 216.5
[M+Na]+ 535.13902 235.7
[M+NH4]+ 530.18362 224.8
[M+K]+ 551.11296 231.9
[M-H]- 511.14252 219.6
[M+Na-2H]- 533.12447 218.0
[M]+ 512.14925 220.5
[M]- 512.15035 220.5
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

patents stripe