CID 516678

5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H20N4O
SMILES
CC(C)(C)C1=CC=C(C=C1)COC2=CN=C(N=C2N)N
InChI
InChI=1S/C15H20N4O/c1-15(2,3)11-6-4-10(5-7-11)9-20-12-8-18-14(17)19-13(12)16/h4-8H,9H2,1-3H3,(H4,16,17,18,19)
InChIKey
DCOTUKJUYREKGG-UHFFFAOYSA-N
Compound name
5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17098 167.1
[M+Na]+ 295.15292 174.9
[M-H]- 271.15642 170.8
[M+NH4]+ 290.19752 180.1
[M+K]+ 311.12686 170.5
[M+H-H2O]+ 255.16096 158.2
[M+HCOO]- 317.16190 187.9
[M+CH3COO]- 331.17755 204.4
[M+Na-2H]- 293.13837 172.1
[M]+ 272.16315 166.1
[M]- 272.16425 166.1
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

No patent data available for this compound.