CID 14228478

4203-77-4

Structural Information

Molecular Formula
C32H22N4O2
SMILES
CCN1C2=C3C(=CC=C(C3=N1)C4=CC=C5C6=C(C7=CC=CC=C7C5=O)N(N=C46)CC)C(=O)C8=CC=CC=C82
InChI
InChI=1S/C32H22N4O2/c1-3-35-29-19-9-5-7-11-21(19)31(37)23-15-13-17(27(33-35)25(23)29)18-14-16-24-26-28(18)34-36(4-2)30(26)20-10-6-8-12-22(20)32(24)38/h5-16H,3-4H2,1-2H3
InChIKey
ARCAURIQGNHJJN-UHFFFAOYSA-N
Compound name
15-ethyl-12-(15-ethyl-8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-12-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
2
Annotation Hits

0
References

1
Patents

494.1743 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.18158 226.4
[M+Na]+ 517.16352 247.3
[M+NH4]+ 512.20812 235.6
[M+K]+ 533.13746 238.7
[M-H]- 493.16702 232.4
[M+Na-2H]- 515.14897 230.0
[M]+ 494.17375 231.7
[M]- 494.17485 231.7
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

patents stripe