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]+ 380.20812 194.1
[M+Na]+ 402.19006 201.5
[M-H]- 378.19356 201.8
[M+NH4]+ 397.23466 201.8
[M+K]+ 418.16400 197.0
[M+H-H2O]+ 362.19810 181.7
[M+HCOO]- 424.19904 215.2
[M+CH3COO]- 438.21469 230.4
[M+Na-2H]- 400.17551 196.7
[M]+ 379.20029 197.6
[M]- 379.20139 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.