CID 651452

510761-95-2

Structural Information

Molecular Formula
C21H20N6O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NCC3=CN=CC=C3)C(=O)N4C=CC=C(C4=N2)C
InChI
InChI=1S/C21H20N6O2/c1-3-26-17(22)15(20(28)24-12-14-7-4-8-23-11-14)10-16-19(26)25-18-13(2)6-5-9-27(18)21(16)29/h4-11,22H,3,12H2,1-2H3,(H,24,28)
InChIKey
FVJHYRZDZRVYDT-UHFFFAOYSA-N
Compound name
7-ethyl-6-imino-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

388.16476 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17204 193.2
[M+Na]+ 411.15398 209.9
[M+NH4]+ 406.19858 198.6
[M+K]+ 427.12792 201.8
[M-H]- 387.15748 197.3
[M+Na-2H]- 409.13943 201.0
[M]+ 388.16421 196.7
[M]- 388.16531 196.7
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.