CID 24847161

As-triazin-3(2h)-one, 5,6-bis(p-(dimethylamino)phenyl)-2-ethyl-

Structural Information

Molecular Formula
C21H25N5O
SMILES
CCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C21H25N5O/c1-6-26-21(27)22-19(15-7-11-17(12-8-15)24(2)3)20(23-26)16-9-13-18(14-10-16)25(4)5/h7-14H,6H2,1-5H3
InChIKey
PYCRCPLOYJASEI-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-ethyl-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2059 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21318 189.2
[M+Na]+ 386.19512 205.1
[M+NH4]+ 381.23972 195.8
[M+K]+ 402.16906 197.3
[M-H]- 362.19862 196.0
[M+Na-2H]- 384.18057 199.9
[M]+ 363.20535 193.5
[M]- 363.20645 193.5
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.