CID 1132957

842971-60-2

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)O)C
InChI
InChI=1S/C14H17N3O2S/c1-8-9(2)20-13-11(8)12(15-7-16-13)17-5-3-10(4-6-17)14(18)19/h7,10H,3-6H2,1-2H3,(H,18,19)
InChIKey
YSVHBIQVEFNKPG-UHFFFAOYSA-N
Compound name
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.10416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 165.8
[M+Na]+ 314.09338 175.2
[M-H]- 290.09688 168.8
[M+NH4]+ 309.13798 180.5
[M+K]+ 330.06732 170.3
[M+H-H2O]+ 274.10142 158.2
[M+HCOO]- 336.10236 177.1
[M+CH3COO]- 350.11801 176.4
[M+Na-2H]- 312.07883 165.0
[M]+ 291.10361 167.1
[M]- 291.10471 167.1
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