CID 220910

1972-99-2

Structural Information

Molecular Formula
C11H13N5
SMILES
CNC1=NC(=NC(=N1)C2=CC=CC=C2)NC
InChI
InChI=1S/C11H13N5/c1-12-10-14-9(15-11(13-2)16-10)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,13,14,15,16)
InChIKey
OUVUYCXSHODHKI-UHFFFAOYSA-N
Compound name
2-N,4-N-dimethyl-6-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.1171 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 148.1
[M+Na]+ 238.10632 156.3
[M-H]- 214.10982 151.2
[M+NH4]+ 233.15092 162.1
[M+K]+ 254.08026 152.1
[M+H-H2O]+ 198.11436 138.3
[M+HCOO]- 260.11530 171.5
[M+CH3COO]- 274.13095 160.0
[M+Na-2H]- 236.09177 157.5
[M]+ 215.11655 147.0
[M]- 215.11765 147.0
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