CID 308477

6-chloro-n4-methylpyrimidine-4,5-diamine

Structural Information

Molecular Formula
C5H7ClN4
SMILES
CNC1=C(C(=NC=N1)Cl)N
InChI
InChI=1S/C5H7ClN4/c1-8-5-3(7)4(6)9-2-10-5/h2H,7H2,1H3,(H,8,9,10)
InChIKey
RIYBSFHJIOZYLD-UHFFFAOYSA-N
Compound name
6-chloro-4-N-methylpyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

158.03592 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04320 129.7
[M+Na]+ 181.02514 139.8
[M-H]- 157.02864 130.7
[M+NH4]+ 176.06974 148.4
[M+K]+ 196.99908 136.1
[M+H-H2O]+ 141.03318 123.3
[M+HCOO]- 203.03412 149.7
[M+CH3COO]- 217.04977 179.8
[M+Na-2H]- 179.01059 137.7
[M]+ 158.03537 129.3
[M]- 158.03647 129.3
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.