CID 516626

121845-77-0

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=CC2=C(C(=N1)C)N=C(N=N2)C
InChI
InChI=1S/C9H10N4/c1-5-4-8-9(6(2)10-5)11-7(3)12-13-8/h4H,1-3H3
InChIKey
KXWNZAPDGLNRKM-UHFFFAOYSA-N
Compound name
3,5,7-trimethylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

174.09055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 139.0
[M+Na]+ 197.079768 151.0
[M-H]- 173.083274 138.9
[M+NH4]+ 192.124373 155.6
[M+K]+ 213.053708 147.2
[M+H-H2O]+ 157.087810 130.4
[M+HCOO]- 219.088751 157.9
[M+CH3COO]- 233.104401 152.0
[M+Na-2H]- 195.065216 148.1
[M]+ 174.09000142 140.8
[M]- 174.09109858 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.