CID 1077523

510762-27-3

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)C(=O)NC
InChI
InChI=1S/C20H23N5O2/c1-12-7-6-10-24-17(12)23-18-15(20(24)27)11-14(19(26)22-2)16(21)25(18)13-8-4-3-5-9-13/h6-7,10-11,13,21H,3-5,8-9H2,1-2H3,(H,22,26)
InChIKey
HXLOXKFHTGOELF-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-imino-N,11-dimethyl-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

2
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 188.2
[M+Na]+ 388.174398 196.7
[M-H]- 364.177904 192.8
[M+NH4]+ 383.219003 198.0
[M+K]+ 404.148338 189.8
[M+H-H2O]+ 348.182440 176.9
[M+HCOO]- 410.183381 204.6
[M+CH3COO]- 424.199031 196.9
[M+Na-2H]- 386.159846 193.0
[M]+ 365.18463142 186.4
[M]- 365.18572858 186.4
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.