CID 4147931

75615-05-3

Structural Information

Molecular Formula
C30H28N4
SMILES
C1CN2C(C3=CC=CC=C31)N(N4CCC5=CC=CC=C5C4N2C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C30H28N4/c1-3-13-25(14-4-1)33-29-27-17-9-7-11-23(27)20-22-32(29)34(26-15-5-2-6-16-26)30-28-18-10-8-12-24(28)19-21-31(30)33/h1-18,29-30H,19-22H2
InChIKey
APMRCQAMZADPEL-UHFFFAOYSA-N
Compound name
2,13-diphenyl-1,2,12,13-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-4,6,8,15,17,19-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.23138 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.23866 216.4
[M+Na]+ 467.22060 235.7
[M+NH4]+ 462.26520 226.4
[M+K]+ 483.19454 222.5
[M-H]- 443.22410 225.1
[M+Na-2H]- 465.20605 224.7
[M]+ 444.23083 222.1
[M]- 444.23193 222.1
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.