CID 3042385

Brn 0580675

Structural Information

Molecular Formula
C21H24N4O4
SMILES
COC1=CC=C(C=C1)C2=C(N=NC(=N2)N(CCO)CCO)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H24N4O4/c1-28-17-7-3-15(4-8-17)19-20(16-5-9-18(29-2)10-6-16)23-24-21(22-19)25(11-13-26)12-14-27/h3-10,26-27H,11-14H2,1-2H3
InChIKey
YFVOBOZNGOHTDN-UHFFFAOYSA-N
Compound name
2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.17975 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.187026 195.5
[M+Na]+ 419.168968 201.5
[M-H]- 395.172474 200.0
[M+NH4]+ 414.213573 201.0
[M+K]+ 435.142908 196.9
[M+H-H2O]+ 379.177010 183.1
[M+HCOO]- 441.177951 213.7
[M+CH3COO]- 455.193601 223.4
[M+Na-2H]- 417.154416 198.8
[M]+ 396.17920142 199.6
[M]- 396.18029858 199.6
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.