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 211.4
[M+Na]+ 467.22060 215.6
[M-H]- 443.22410 215.7
[M+NH4]+ 462.26520 216.4
[M+K]+ 483.19454 204.5
[M+H-H2O]+ 427.22864 193.5
[M+HCOO]- 489.22958 216.1
[M+CH3COO]- 503.24523 215.2
[M+Na-2H]- 465.20605 214.6
[M]+ 444.23083 202.8
[M]- 444.23193 202.8
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.