CID 456598

4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenol

Structural Information

Molecular Formula
C11H15N5O
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)O)N)N)C
InChI
InChI=1S/C11H15N5O/c1-11(2)15-9(12)14-10(13)16(11)7-3-5-8(17)6-4-7/h3-6,17H,1-2H3,(H4,12,13,14,15)
InChIKey
SJSNBTUQKPFFQU-UHFFFAOYSA-N
Compound name
4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

233.12766 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13494 154.5
[M+Na]+ 256.11688 164.2
[M-H]- 232.12038 156.2
[M+NH4]+ 251.16148 169.2
[M+K]+ 272.09082 159.7
[M+H-H2O]+ 216.12492 146.3
[M+HCOO]- 278.12586 174.1
[M+CH3COO]- 292.14151 194.3
[M+Na-2H]- 254.10233 159.9
[M]+ 233.12711 151.0
[M]- 233.12821 151.0
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

No patent data available for this compound.