CID 3069204

St 812

Structural Information

Molecular Formula
C21H24N6O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CC(=O)N
InChI
InChI=1S/C21H24N6O2/c1-25(2)16-9-5-14(6-10-16)19-20(15-7-11-17(12-8-15)26(3)4)24-27(13-18(22)28)21(29)23-19/h5-12H,13H2,1-4H3,(H2,22,28)
InChIKey
YUMPMAXMLOBNSV-UHFFFAOYSA-N
Compound name
2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19608 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20336 194.1
[M+Na]+ 415.18530 207.6
[M+NH4]+ 410.22990 199.0
[M+K]+ 431.15924 201.9
[M-H]- 391.18880 200.1
[M+Na-2H]- 413.17075 203.2
[M]+ 392.19553 197.5
[M]- 392.19663 197.5
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.