CID 3069200

St 728

Structural Information

Molecular Formula
C23H26N4O4
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCN4CCOCC4
InChI
InChI=1S/C23H26N4O4/c1-29-19-7-3-17(4-8-19)21-22(18-5-9-20(30-2)10-6-18)25-27(23(28)24-21)12-11-26-13-15-31-16-14-26/h3-10H,11-16H2,1-2H3
InChIKey
GCWMYSIFLMZVLZ-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 206.0
[M+Na]+ 445.18462 212.2
[M-H]- 421.18812 213.1
[M+NH4]+ 440.22922 207.9
[M+K]+ 461.15856 207.3
[M+H-H2O]+ 405.19266 191.1
[M+HCOO]- 467.19360 219.3
[M+CH3COO]- 481.20925 213.0
[M+Na-2H]- 443.17007 207.3
[M]+ 422.19485 207.1
[M]- 422.19595 207.1
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.