CID 56965814

1354359-58-2

Structural Information

Molecular Formula
C10H12ClN3S
SMILES
CSC1=NC2=C(CCN2C3CC3)C(=N1)Cl
InChI
InChI=1S/C10H12ClN3S/c1-15-10-12-8(11)7-4-5-14(6-2-3-6)9(7)13-10/h6H,2-5H2,1H3
InChIKey
MVPQTCPJJQSUDK-UHFFFAOYSA-N
Compound name
4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04405 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05133 153.5
[M+Na]+ 264.03327 166.1
[M-H]- 240.03677 157.8
[M+NH4]+ 259.07787 167.0
[M+K]+ 280.00721 159.9
[M+H-H2O]+ 224.04131 146.2
[M+HCOO]- 286.04225 163.9
[M+CH3COO]- 300.05790 165.3
[M+Na-2H]- 262.01872 154.3
[M]+ 241.04350 159.0
[M]- 241.04460 159.0
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

No patent data available for this compound.