CID 2929050

371225-37-5

Structural Information

Molecular Formula
C20H23N5O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C(=O)NCCCOC
InChI
InChI=1S/C20H23N5O3/c1-4-9-24-16(21)14(19(26)22-8-6-11-28-3)12-15-18(24)23-17-13(2)7-5-10-25(17)20(15)27/h4-5,7,10,12,21H,1,6,8-9,11H2,2-3H3,(H,22,26)
InChIKey
QBNFLGUHTKBXSS-UHFFFAOYSA-N
Compound name
6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-7-prop-2-enyl-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

8
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 191.5
[M+Na]+ 404.16930 205.3
[M+NH4]+ 399.21390 195.9
[M+K]+ 420.14324 198.1
[M-H]- 380.17280 192.8
[M+Na-2H]- 402.15475 195.5
[M]+ 381.17953 193.6
[M]- 381.18063 193.6
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.