CID 492735

Schembl6639461

Structural Information

Molecular Formula
C9H9ClN4OS
SMILES
CC1=CC(=NO1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C9H9ClN4OS/c1-5-2-6(14-15-5)4-16-9-12-7(10)3-8(11)13-9/h2-3H,4H2,1H3,(H2,11,12,13)
InChIKey
ABKGSNIVIKLRCZ-UHFFFAOYSA-N
Compound name
6-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

256.01855 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02583 153.0
[M+Na]+ 279.00777 164.9
[M-H]- 255.01127 157.2
[M+NH4]+ 274.05237 168.0
[M+K]+ 294.98171 160.4
[M+H-H2O]+ 239.01581 145.5
[M+HCOO]- 301.01675 165.9
[M+CH3COO]- 315.03240 165.6
[M+Na-2H]- 276.99322 154.9
[M]+ 256.01800 158.0
[M]- 256.01910 158.0
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