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

30
Patents

158.03592 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04320 130.6
[M+Na]+ 181.02514 141.7
[M-H]- 157.02864 131.6
[M+NH4]+ 176.06974 149.4
[M+K]+ 196.99908 137.7
[M+H-H2O]+ 141.03318 124.6
[M+HCOO]- 203.03412 150.0
[M+CH3COO]- 217.04977 180.4
[M+Na-2H]- 179.01059 136.8
[M]+ 158.03537 129.6
[M]- 158.03647 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