CID 15956322

Schembl6963249

Structural Information

Molecular Formula
C24H26N4O
SMILES
CCN1C2=C(C=C(C=N2)CCC3=CC=CC=C3)C(=O)N(C4=C(C(=CN=C41)C)C)C
InChI
InChI=1S/C24H26N4O/c1-5-28-22-20(13-19(15-26-22)12-11-18-9-7-6-8-10-18)24(29)27(4)21-17(3)16(2)14-25-23(21)28/h6-10,13-15H,5,11-12H2,1-4H3
InChIKey
YZFHHBIAECBOKL-UHFFFAOYSA-N
Compound name
2-ethyl-6,7,9-trimethyl-13-(2-phenylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

386.21066 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21794 201.9
[M+Na]+ 409.19988 211.9
[M-H]- 385.20338 206.7
[M+NH4]+ 404.24448 210.5
[M+K]+ 425.17382 208.2
[M+H-H2O]+ 369.20792 190.0
[M+HCOO]- 431.20886 215.3
[M+CH3COO]- 445.22451 210.2
[M+Na-2H]- 407.18533 203.8
[M]+ 386.21011 202.5
[M]- 386.21121 202.5
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

patents stripe