CID 3712722

608492-44-0

Structural Information

Molecular Formula
C20H23N5O3
SMILES
CCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4CCCO4
InChI
InChI=1S/C20H23N5O3/c1-3-22-19(26)14-10-15-18(25(16(14)21)11-13-7-5-9-28-13)23-17-12(2)6-4-8-24(17)20(15)27/h4,6,8,10,13,21H,3,5,7,9,11H2,1-2H3,(H,22,26)
InChIKey
TXJGYTHAUSXYAB-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-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

381.18008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 191.0
[M+Na]+ 404.16930 204.3
[M+NH4]+ 399.21390 196.4
[M+K]+ 420.14324 199.9
[M-H]- 380.17280 195.4
[M+Na-2H]- 402.15475 194.9
[M]+ 381.17953 193.9
[M]- 381.18063 193.9
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.