CID 492770

Schembl6642034

Structural Information

Molecular Formula
C15H10ClF2N3S
SMILES
C1=CC2=CC(=C(C=C2C=C1CSC3=NC(=CC(=N3)Cl)N)F)F
InChI
InChI=1S/C15H10ClF2N3S/c16-13-6-14(19)21-15(20-13)22-7-8-1-2-9-4-11(17)12(18)5-10(9)3-8/h1-6H,7H2,(H2,19,20,21)
InChIKey
AKQIZEXWEGEPQR-UHFFFAOYSA-N
Compound name
6-chloro-2-[(6,7-difluoronaphthalen-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

337.0252 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.03248 169.4
[M+Na]+ 360.01442 181.9
[M-H]- 336.01792 172.0
[M+NH4]+ 355.05902 183.1
[M+K]+ 375.98836 172.9
[M+H-H2O]+ 320.02246 159.8
[M+HCOO]- 382.02340 179.2
[M+CH3COO]- 396.03905 180.2
[M+Na-2H]- 357.99987 171.9
[M]+ 337.02465 171.5
[M]- 337.02575 171.5
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