CID 17893

2878-04-8

Structural Information

Molecular Formula
C11H11N7O2
SMILES
C1=CC(=CC=C1C(=O)O)N=NC2=C(N=C(N=C2N)N)N
InChI
InChI=1S/C11H11N7O2/c12-8-7(9(13)16-11(14)15-8)18-17-6-3-1-5(2-4-6)10(19)20/h1-4H,(H,19,20)(H6,12,13,14,15,16)
InChIKey
KJXBXATYKAWGBL-UHFFFAOYSA-N
Compound name
4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

273.0974 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10468 159.2
[M+Na]+ 296.08662 168.6
[M+NH4]+ 291.13122 164.0
[M+K]+ 312.06056 165.2
[M-H]- 272.09012 163.3
[M+Na-2H]- 294.07207 165.7
[M]+ 273.09685 161.0
[M]- 273.09795 161.0
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

patents stripe