CID 327423

65183-37-1

Structural Information

Molecular Formula
C24H22N6
SMILES
C1CN=CC2=CC3=CC=CC=C3N=C2NCCN=CC4=CC5=CC=CC=C5N=C4N1
InChI
InChI=1S/C24H22N6/c1-3-7-21-17(5-1)13-19-15-25-9-12-28-24-20(16-26-10-11-27-23(19)29-21)14-18-6-2-4-8-22(18)30-24/h1-8,13-16H,9-12H2,(H,27,29)(H,28,30)
InChIKey
OMMIVBYRJKKVCO-UHFFFAOYSA-N
Compound name
2,5,15,17,20,30-hexazapentacyclo[20.8.0.07,16.09,14.024,29]triaconta-1(30),5,7,9,11,13,15,20,22,24,26,28-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.19058 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19786 193.0
[M+Na]+ 417.17980 200.5
[M-H]- 393.18330 187.8
[M+NH4]+ 412.22440 194.7
[M+K]+ 433.15374 190.4
[M+H-H2O]+ 377.18784 182.4
[M+HCOO]- 439.18878 198.7
[M+CH3COO]- 453.20443 197.0
[M+Na-2H]- 415.16525 201.9
[M]+ 394.19003 184.7
[M]- 394.19113 184.7
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.