CID 3670180

609797-34-4

Structural Information

Molecular Formula
C23H23N5O4
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCOC
InChI
InChI=1S/C23H23N5O4/c1-3-32-16-9-7-15(8-10-16)25-22(29)17-14-18-21(28(20(17)24)12-13-31-2)26-19-6-4-5-11-27(19)23(18)30/h4-11,14,24H,3,12-13H2,1-2H3,(H,25,29)
InChIKey
KZLYBSQEKPFVJK-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-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

0
References

0
Patents

433.17502 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18230 204.5
[M+Na]+ 456.16424 213.8
[M-H]- 432.16774 209.7
[M+NH4]+ 451.20884 211.3
[M+K]+ 472.13818 207.5
[M+H-H2O]+ 416.17228 192.1
[M+HCOO]- 478.17322 224.2
[M+CH3COO]- 492.18887 236.4
[M+Na-2H]- 454.14969 211.0
[M]+ 433.17447 210.4
[M]- 433.17557 210.4
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.