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]+ 175.09783 139.0
[M+Na]+ 197.07977 151.0
[M-H]- 173.08327 138.9
[M+NH4]+ 192.12437 155.6
[M+K]+ 213.05371 147.2
[M+H-H2O]+ 157.08781 130.4
[M+HCOO]- 219.08875 157.9
[M+CH3COO]- 233.10440 152.0
[M+Na-2H]- 195.06522 148.1
[M]+ 174.09000 140.8
[M]- 174.09110 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.