CID 277311

Nsc126121

Structural Information

Molecular Formula
C10H9N7
SMILES
CC1=CC2=C(C=C1)N=NN3C2=NC(=NC3=N)N
InChI
InChI=1S/C10H9N7/c1-5-2-3-7-6(4-5)8-13-9(11)14-10(12)17(8)16-15-7/h2-4H,1H3,(H3,11,12,14)
InChIKey
KJXYFDKLTGXJNA-UHFFFAOYSA-N
Compound name
4-imino-10-methyl-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09923 152.3
[M+Na]+ 250.08117 165.9
[M-H]- 226.08467 152.3
[M+NH4]+ 245.12577 165.6
[M+K]+ 266.05511 159.1
[M+H-H2O]+ 210.08921 142.7
[M+HCOO]- 272.09015 172.3
[M+CH3COO]- 286.10580 164.2
[M+Na-2H]- 248.06662 164.5
[M]+ 227.09140 152.8
[M]- 227.09250 152.8
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.