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]+ 364.213176 191.2
[M+Na]+ 386.195118 199.3
[M-H]- 362.198624 200.2
[M+NH4]+ 381.239723 200.3
[M+K]+ 402.169058 194.8
[M+H-H2O]+ 346.203160 178.6
[M+HCOO]- 408.204101 213.5
[M+CH3COO]- 422.219751 230.5
[M+Na-2H]- 384.180566 194.1
[M]+ 363.20535142 195.1
[M]- 363.20644858 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.