CID 3151473

510762-91-1

Structural Information

Molecular Formula
C17H19N5O3
SMILES
CCOCCCN1C2=C(C=C(C1=N)C(=O)N)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C17H19N5O3/c1-2-25-9-5-8-22-14(18)11(15(19)23)10-12-16(22)20-13-6-3-4-7-21(13)17(12)24/h3-4,6-7,10,18H,2,5,8-9H2,1H3,(H2,19,23)
InChIKey
LSRVDKPHQMBHAA-UHFFFAOYSA-N
Compound name
7-(3-ethoxypropyl)-6-imino-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

341.1488 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15608 178.7
[M+Na]+ 364.13802 192.4
[M+NH4]+ 359.18262 183.7
[M+K]+ 380.11196 186.0
[M-H]- 340.14152 180.1
[M+Na-2H]- 362.12347 183.3
[M]+ 341.14825 180.7
[M]- 341.14935 180.7
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.