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]+ 366.192456 186.7
[M+Na]+ 388.174398 194.3
[M-H]- 364.177904 190.9
[M+NH4]+ 383.219003 196.2
[M+K]+ 404.148338 187.4
[M+H-H2O]+ 348.182440 175.3
[M+HCOO]- 410.183381 203.2
[M+CH3COO]- 424.199031 195.2
[M+Na-2H]- 386.159846 192.4
[M]+ 365.18463142 184.5
[M]- 365.18572858 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.