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 191.2
[M+Na]+ 386.19512 199.3
[M-H]- 362.19862 200.2
[M+NH4]+ 381.23972 200.3
[M+K]+ 402.16906 194.8
[M+H-H2O]+ 346.20316 178.6
[M+HCOO]- 408.20410 213.5
[M+CH3COO]- 422.21975 230.5
[M+Na-2H]- 384.18057 194.1
[M]+ 363.20535 195.1
[M]- 363.20645 195.1
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.