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 196.9
[M+Na]+ 415.18530 203.9
[M-H]- 391.18880 205.7
[M+NH4]+ 410.22990 204.0
[M+K]+ 431.15924 200.0
[M+H-H2O]+ 375.19334 184.4
[M+HCOO]- 437.19428 219.2
[M+CH3COO]- 451.20993 237.6
[M+Na-2H]- 413.17075 198.6
[M]+ 392.19553 199.5
[M]- 392.19663 199.5
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.