CID 1077489

510762-04-6

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NC3CCCCC3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C20H23N5O2/c1-2-24-17(21)14(19(26)22-13-8-4-3-5-9-13)12-15-18(24)23-16-10-6-7-11-25(16)20(15)27/h6-7,10-13,21H,2-5,8-9H2,1H3,(H,22,26)
InChIKey
VXQNWSPHPWCCMI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-7-ethyl-6-imino-2-oxo-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

4
References

0
Patents

365.18518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 186.7
[M+Na]+ 388.17440 194.3
[M-H]- 364.17790 190.9
[M+NH4]+ 383.21900 196.2
[M+K]+ 404.14834 187.4
[M+H-H2O]+ 348.18244 175.3
[M+HCOO]- 410.18338 203.2
[M+CH3COO]- 424.19903 195.2
[M+Na-2H]- 386.15985 192.4
[M]+ 365.18463 184.5
[M]- 365.18573 184.5
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.