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 180.7
[M+Na]+ 364.13802 192.2
[M-H]- 340.14152 183.6
[M+NH4]+ 359.18262 192.4
[M+K]+ 380.11196 186.7
[M+H-H2O]+ 324.14606 171.0
[M+HCOO]- 386.14700 201.4
[M+CH3COO]- 400.16265 220.4
[M+Na-2H]- 362.12347 187.6
[M]+ 341.14825 186.2
[M]- 341.14935 186.2
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.