CID 1077521

510762-26-2

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)C4CCCCC4
InChI
InChI=1S/C21H24N4O3/c1-3-28-21(27)15-12-16-19(25(17(15)22)14-9-5-4-6-10-14)23-18-13(2)8-7-11-24(18)20(16)26/h7-8,11-12,14,22H,3-6,9-10H2,1-2H3
InChIKey
WPKAKBCTJBMFIT-UHFFFAOYSA-N
Compound name
ethyl 7-cyclohexyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 190.9
[M+Na]+ 403.17406 206.0
[M+NH4]+ 398.21866 197.0
[M+K]+ 419.14800 198.4
[M-H]- 379.17756 194.5
[M+Na-2H]- 401.15951 196.6
[M]+ 380.18429 194.0
[M]- 380.18539 194.0
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.