CID 1077325

510760-71-1

Structural Information

Molecular Formula
C20H19N5O3
SMILES
CCNC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CC4=CC=CO4
InChI
InChI=1S/C20H19N5O3/c1-3-22-19(26)14-9-15-18(25(17(14)21)11-13-5-4-8-28-13)23-16-7-6-12(2)10-24(16)20(15)27/h4-10,21H,3,11H2,1-2H3,(H,22,26)
InChIKey
IJCQKRFZUUXGBK-UHFFFAOYSA-N
Compound name
N-ethyl-7-(furan-2-ylmethyl)-6-imino-13-methyl-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

377.1488 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15608 189.5
[M+Na]+ 400.13802 204.6
[M+NH4]+ 395.18262 195.0
[M+K]+ 416.11196 199.7
[M-H]- 376.14152 194.4
[M+Na-2H]- 398.12347 195.1
[M]+ 377.14825 192.9
[M]- 377.14935 192.9
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.