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 186.1
[M+Na]+ 388.17440 200.2
[M+NH4]+ 383.21900 192.4
[M+K]+ 404.14834 192.6
[M-H]- 364.17790 190.3
[M+Na-2H]- 386.15985 192.4
[M]+ 365.18463 189.1
[M]- 365.18573 189.1
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.