CID 56843318

Einecs 298-413-6

Structural Information

Molecular Formula
C34H26N4O2
SMILES
CC(C)N1C2=C3C(=CC=C(C3=N1)C4=CC=C5C6=C(C7=CC=CC=C7C5=O)N(N=C46)C(C)C)C(=O)C8=CC=CC=C82
InChI
InChI=1S/C34H26N4O2/c1-17(2)37-31-21-9-5-7-11-23(21)33(39)25-15-13-19(29(35-37)27(25)31)20-14-16-26-28-30(20)36-38(18(3)4)32(28)22-10-6-8-12-24(22)34(26)40/h5-18H,1-4H3
InChIKey
QYYGOQAXQIIHNY-UHFFFAOYSA-N
Compound name
12-(8-oxo-15-propan-2-yl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-12-yl)-15-propan-2-yl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.20557 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.21285 232.5
[M+Na]+ 545.19479 252.2
[M+NH4]+ 540.23939 241.1
[M+K]+ 561.16873 244.8
[M-H]- 521.19829 238.2
[M+Na-2H]- 543.18024 235.2
[M]+ 522.20502 237.5
[M]- 522.20612 237.5
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

No patent data available for this compound.