CID 3151389

371116-82-4

Structural Information

Molecular Formula
C18H20N4O4
SMILES
CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CCOC
InChI
InChI=1S/C18H20N4O4/c1-4-26-18(24)12-10-13-16(21(14(12)19)8-9-25-3)20-15-11(2)6-5-7-22(15)17(13)23/h5-7,10,19H,4,8-9H2,1-3H3
InChIKey
RGNTTZJVXNNLLP-UHFFFAOYSA-N
Compound name
ethyl 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 184.1
[M+Na]+ 379.13769 195.7
[M-H]- 355.14119 186.7
[M+NH4]+ 374.18229 195.3
[M+K]+ 395.11163 190.7
[M+H-H2O]+ 339.14573 174.1
[M+HCOO]- 401.14667 203.5
[M+CH3COO]- 415.16232 220.3
[M+Na-2H]- 377.12314 189.9
[M]+ 356.14792 191.9
[M]- 356.14902 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.