CID 656296

618383-70-3

Structural Information

Molecular Formula
C19H20N6O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C#N
InChI
InChI=1S/C19H20N6O2/c1-13-3-2-4-25-17(13)22-18-15(19(25)26)11-14(12-20)16(21)24(18)6-5-23-7-9-27-10-8-23/h2-4,11,21H,5-10H2,1H3
InChIKey
KKQYBZORKLXQNY-UHFFFAOYSA-N
Compound name
6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

364.16476 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17204 187.4
[M+Na]+ 387.15398 198.6
[M-H]- 363.15748 188.3
[M+NH4]+ 382.19858 193.2
[M+K]+ 403.12792 190.1
[M+H-H2O]+ 347.16202 168.6
[M+HCOO]- 409.16296 197.9
[M+CH3COO]- 423.17861 194.1
[M+Na-2H]- 385.13943 191.8
[M]+ 364.16421 182.1
[M]- 364.16531 182.1
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.