CID 10832

Amanozine

Structural Information

Molecular Formula
C9H9N5
SMILES
C1=CC=C(C=C1)NC2=NC=NC(=N2)N
InChI
InChI=1S/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)
InChIKey
YMFGJWGABDOFID-UHFFFAOYSA-N
Compound name
2-N-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

641
Patents

187.0858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09308 138.4
[M+Na]+ 210.07502 146.7
[M-H]- 186.07852 141.0
[M+NH4]+ 205.11962 153.0
[M+K]+ 226.04896 142.5
[M+H-H2O]+ 170.08306 129.0
[M+HCOO]- 232.08400 162.0
[M+CH3COO]- 246.09965 150.6
[M+Na-2H]- 208.06047 148.8
[M]+ 187.08525 135.3
[M]- 187.08635 135.3
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