CID 757415

N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H11N5O
SMILES
COC1=CC=C(C=C1)NC2=NC=NC(=N2)N
InChI
InChI=1S/C10H11N5O/c1-16-8-4-2-7(3-5-8)14-10-13-6-12-9(11)15-10/h2-6H,1H3,(H3,11,12,13,14,15)
InChIKey
NLFPJEGIIOQLNS-UHFFFAOYSA-N
Compound name
2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.09636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 146.7
[M+Na]+ 240.085578 155.3
[M-H]- 216.089084 149.6
[M+NH4]+ 235.130183 160.3
[M+K]+ 256.059518 151.5
[M+H-H2O]+ 200.093620 137.0
[M+HCOO]- 262.094561 170.1
[M+CH3COO]- 276.110211 191.8
[M+Na-2H]- 238.071026 155.7
[M]+ 217.09581142 145.8
[M]- 217.09690858 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe