CID 3493989

510762-39-7

Structural Information

Molecular Formula
C17H19N5O3
SMILES
CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCOC
InChI
InChI=1S/C17H19N5O3/c1-3-19-16(23)11-10-12-15(22(14(11)18)8-9-25-2)20-13-6-4-5-7-21(13)17(12)24/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,23)
InChIKey
QYXPAKCFSPKLSS-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-7-(2-methoxyethyl)-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 179.6
[M+Na]+ 364.13802 190.2
[M-H]- 340.14152 182.0
[M+NH4]+ 359.18262 190.9
[M+K]+ 380.11196 184.6
[M+H-H2O]+ 324.14606 169.6
[M+HCOO]- 386.14700 200.3
[M+CH3COO]- 400.16265 219.0
[M+Na-2H]- 362.12347 187.4
[M]+ 341.14825 184.7
[M]- 341.14935 184.7
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.