CID 463192

Chembl145287

Structural Information

Molecular Formula
C20H19N5O2
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)C4=CN=C(C=C4)OC)C
InChI
InChI=1S/C20H19N5O2/c1-4-25-18-14(6-5-11-21-18)20(26)24(2)16-9-8-15(23-19(16)25)13-7-10-17(27-3)22-12-13/h5-12H,4H2,1-3H3
InChIKey
NCVOSWVSMRJCQB-UHFFFAOYSA-N
Compound name
2-ethyl-5-(6-methoxypyridin-3-yl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.15387 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16115 192.6
[M+Na]+ 384.14309 203.4
[M-H]- 360.14659 196.4
[M+NH4]+ 379.18769 200.4
[M+K]+ 400.11703 200.7
[M+H-H2O]+ 344.15113 179.8
[M+HCOO]- 406.15207 206.2
[M+CH3COO]- 420.16772 201.2
[M+Na-2H]- 382.12854 197.2
[M]+ 361.15332 193.3
[M]- 361.15442 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.