CID 34921

30354-91-7

Structural Information

Molecular Formula
C10H11N5O
SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C10H11N5O/c1-16-7-4-2-6(3-5-7)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKey
WBDWTNWLWBQFJU-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

56
Patents

217.09636 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 148.2
[M+Na]+ 240.085578 157.8
[M-H]- 216.089084 151.0
[M+NH4]+ 235.130183 161.9
[M+K]+ 256.059518 153.7
[M+H-H2O]+ 200.093620 138.9
[M+HCOO]- 262.094561 171.0
[M+CH3COO]- 276.110211 192.5
[M+Na-2H]- 238.071026 155.3
[M]+ 217.09581142 146.7
[M]- 217.09690858 146.7
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