CID 7064

Benzoguanamine

Structural Information

Molecular Formula
C9H9N5
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
InChIKey
GZVHEAJQGPRDLQ-UHFFFAOYSA-N
Compound name
6-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

102959
Patents

187.0858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.093076 139.9
[M+Na]+ 210.075018 149.2
[M-H]- 186.078524 142.4
[M+NH4]+ 205.119623 154.6
[M+K]+ 226.048958 144.7
[M+H-H2O]+ 170.083060 130.8
[M+HCOO]- 232.084001 162.8
[M+CH3COO]- 246.099651 152.2
[M+Na-2H]- 208.060466 148.4
[M]+ 187.08525142 136.3
[M]- 187.08634858 136.3
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