CID 516671

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

Structural Information

Molecular Formula
C11H11ClN4O
SMILES
C1=CC=C(C(=C1)COC2=CN=C(N=C2N)N)Cl
InChI
InChI=1S/C11H11ClN4O/c12-8-4-2-1-3-7(8)6-17-9-5-15-11(14)16-10(9)13/h1-5H,6H2,(H4,13,14,15,16)
InChIKey
PRRBRFOWNHPLBG-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.06213 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06941 153.8
[M+Na]+ 273.05135 163.6
[M-H]- 249.05485 157.4
[M+NH4]+ 268.09595 168.3
[M+K]+ 289.02529 157.9
[M+H-H2O]+ 233.05939 145.5
[M+HCOO]- 295.06033 172.9
[M+CH3COO]- 309.07598 196.3
[M+Na-2H]- 271.03680 159.7
[M]+ 250.06158 154.2
[M]- 250.06268 154.2
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.