CID 1077453

380389-54-8

Structural Information

Molecular Formula
C19H20N6O2
SMILES
C1COCCN1CCCN2C3=C(C=C(C2=N)C#N)C(=O)N4C=CC=CC4=N3
InChI
InChI=1S/C19H20N6O2/c20-13-14-12-15-18(22-16-4-1-2-6-24(16)19(15)26)25(17(14)21)7-3-5-23-8-10-27-11-9-23/h1-2,4,6,12,21H,3,5,7-11H2
InChIKey
OEDNCFLJTLXNEC-UHFFFAOYSA-N
Compound name
6-imino-7-(3-morpholin-4-ylpropyl)-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

2
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 185.7
[M+Na]+ 387.15398 196.1
[M-H]- 363.15748 186.2
[M+NH4]+ 382.19858 191.2
[M+K]+ 403.12792 187.5
[M+H-H2O]+ 347.16202 166.7
[M+HCOO]- 409.16296 196.2
[M+CH3COO]- 423.17861 192.2
[M+Na-2H]- 385.13943 190.9
[M]+ 364.16421 180.0
[M]- 364.16531 180.0
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.