CID 3069201

St 766

Structural Information

Molecular Formula
C22H26N4O3
SMILES
CC(CN(C)C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H26N4O3/c1-15(14-25(2)3)26-22(27)23-20(16-6-10-18(28-4)11-7-16)21(24-26)17-8-12-19(29-5)13-9-17/h6-13,15H,14H2,1-5H3
InChIKey
OGFXKZMSBHKEFB-UHFFFAOYSA-N
Compound name
2-[1-(dimethylamino)propan-2-yl]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.2005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20778 197.3
[M+Na]+ 417.18972 204.9
[M-H]- 393.19322 204.8
[M+NH4]+ 412.23432 204.5
[M+K]+ 433.16366 200.9
[M+H-H2O]+ 377.19776 184.7
[M+HCOO]- 439.19870 217.1
[M+CH3COO]- 453.21435 230.2
[M+Na-2H]- 415.17517 198.8
[M]+ 394.19995 203.1
[M]- 394.20105 203.1
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.