CID 102347612

Ni(ii) meso-dimesitylnorcorrole

Structural Information

Molecular Formula
C36H32N4
SMILES
CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C4C=CC(=N4)C(=C5C=CC(=N5)C6=CC=C2N6)C7=C(C=C(C=C7C)C)C)N3)C
InChI
InChI=1S/C36H32N4/c1-19-15-21(3)33(22(4)16-19)35-29-11-7-25(37-29)27-9-13-31(39-27)36(34-23(5)17-20(2)18-24(34)6)32-14-10-28(40-32)26-8-12-30(35)38-26/h7-18,37-38H,1-6H3
InChIKey
UFOBNRNACPZJSU-UHFFFAOYSA-N
Compound name
6,15-bis(2,4,6-trimethylphenyl)-19,20,21,22-tetrazapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1,3,5,7,9,11(20),12,14,16(19),17-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2627 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26998 229.7
[M+Na]+ 543.25192 248.5
[M+NH4]+ 538.29652 237.8
[M+K]+ 559.22586 244.5
[M-H]- 519.25542 235.2
[M+Na-2H]- 541.23737 232.7
[M]+ 520.26215 234.3
[M]- 520.26325 234.3
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.