CID 1077416

369400-59-9

Structural Information

Molecular Formula
C20H18N6O2
SMILES
CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CN=CC=C4
InChI
InChI=1S/C20H18N6O2/c1-2-23-19(27)14-10-15-18(24-16-7-3-4-9-25(16)20(15)28)26(17(14)21)12-13-6-5-8-22-11-13/h3-11,21H,2,12H2,1H3,(H,23,27)
InChIKey
BJELMXJENZORFN-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-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

0
References

0
Patents

374.1491 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15638 190.3
[M+Na]+ 397.13832 200.9
[M-H]- 373.14182 194.4
[M+NH4]+ 392.18292 198.2
[M+K]+ 413.11226 192.9
[M+H-H2O]+ 357.14636 178.2
[M+HCOO]- 419.14730 209.5
[M+CH3COO]- 433.16295 199.4
[M+Na-2H]- 395.12377 199.1
[M]+ 374.14855 192.7
[M]- 374.14965 192.7
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

No patent data available for this compound.