CID 45791264

1158781-49-7

Structural Information

Molecular Formula
C7H9ClN4
SMILES
C1CC1NC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C7H9ClN4/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H3,9,10,11,12)
InChIKey
AGDMMBNYUDVARJ-UHFFFAOYSA-N
Compound name
6-chloro-4-N-cyclopropylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

184.05157 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05885 134.9
[M+Na]+ 207.04079 149.0
[M+NH4]+ 202.08539 143.8
[M+K]+ 223.01473 144.2
[M-H]- 183.04429 145.1
[M+Na-2H]- 205.02624 145.4
[M]+ 184.05102 141.0
[M]- 184.05212 141.0
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