CID 1077414

510761-47-4

Structural Information

Molecular Formula
C19H16N6O2
SMILES
CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CN=CC=C4
InChI
InChI=1S/C19H16N6O2/c1-21-18(26)13-9-14-17(23-15-6-2-3-8-24(15)19(14)27)25(16(13)20)11-12-5-4-7-22-10-12/h2-10,20H,11H2,1H3,(H,21,26)
InChIKey
GTOGGJDUEUTXDU-UHFFFAOYSA-N
Compound name
6-imino-N-methyl-2-oxo-7-(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

2
References

0
Patents

360.13348 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14076 183.4
[M+Na]+ 383.12270 200.2
[M+NH4]+ 378.16730 189.2
[M+K]+ 399.09664 192.4
[M-H]- 359.12620 187.5
[M+Na-2H]- 381.10815 192.1
[M]+ 360.13293 186.9
[M]- 360.13403 186.9
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.