CID 3069205

St 817

Structural Information

Molecular Formula
C21H25N5O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CCO
InChI
InChI=1S/C21H25N5O2/c1-24(2)17-9-5-15(6-10-17)19-20(23-26(13-14-27)21(28)22-19)16-7-11-18(12-8-16)25(3)4/h5-12,27H,13-14H2,1-4H3
InChIKey
DQLRSPSFSJADAO-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-(2-hydroxyethyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.20084 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.208116 194.1
[M+Na]+ 402.190058 201.5
[M-H]- 378.193564 201.8
[M+NH4]+ 397.234663 201.8
[M+K]+ 418.163998 197.0
[M+H-H2O]+ 362.198100 181.7
[M+HCOO]- 424.199041 215.2
[M+CH3COO]- 438.214691 230.4
[M+Na-2H]- 400.175506 196.7
[M]+ 379.20029142 197.6
[M]- 379.20138858 197.6
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.