CID 3375549

510762-38-6

Structural Information

Molecular Formula
C17H19N5O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOC)C(=O)NC
InChI
InChI=1S/C17H19N5O3/c1-10-5-4-6-22-14(10)20-15-12(17(22)24)9-11(16(23)19-2)13(18)21(15)7-8-25-3/h4-6,9,18H,7-8H2,1-3H3,(H,19,23)
InChIKey
AQFLXDQCKNVNHG-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-N,11-dimethyl-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 179.4
[M+Na]+ 364.13802 193.9
[M+NH4]+ 359.18262 184.7
[M+K]+ 380.11196 187.4
[M-H]- 340.14152 181.1
[M+Na-2H]- 362.12347 184.3
[M]+ 341.14825 181.7
[M]- 341.14935 181.7
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.