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

1
Patents

217.09636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 146.7
[M+Na]+ 240.08558 155.3
[M-H]- 216.08908 149.6
[M+NH4]+ 235.13018 160.3
[M+K]+ 256.05952 151.5
[M+H-H2O]+ 200.09362 137.0
[M+HCOO]- 262.09456 170.1
[M+CH3COO]- 276.11021 191.8
[M+Na-2H]- 238.07103 155.7
[M]+ 217.09581 145.8
[M]- 217.09691 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