CID 275295

2-chloro-4,5-diamino-6-methylpyrimidine

Structural Information

Molecular Formula
C5H7ClN4
SMILES
CC1=C(C(=NC(=N1)Cl)N)N
InChI
InChI=1S/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10)
InChIKey
KSGKEVCHVYUUDN-UHFFFAOYSA-N
Compound name
2-chloro-6-methylpyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

158.03592 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.043196 130.6
[M+Na]+ 181.025138 141.7
[M-H]- 157.028644 131.6
[M+NH4]+ 176.069743 149.4
[M+K]+ 196.999078 137.7
[M+H-H2O]+ 141.033180 124.6
[M+HCOO]- 203.034121 150.0
[M+CH3COO]- 217.049771 180.4
[M+Na-2H]- 179.010586 136.8
[M]+ 158.03537142 129.6
[M]- 158.03646858 129.6
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