CID 205955

Dacopafant

Structural Information

Molecular Formula
C12H11N3OS
SMILES
C1C2=C(C=CN2[C@H](S1)C3=CN=CC=C3)C(=O)N
InChI
InChI=1S/C12H11N3OS/c13-11(16)9-3-5-15-10(9)7-17-12(15)8-2-1-4-14-6-8/h1-6,12H,7H2,(H2,13,16)/t12-/m1/s1
InChIKey
ARFOASMERCHFBY-GFCCVEGCSA-N
Compound name
(3R)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

103
Patents

245.06229 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06957 153.1
[M+Na]+ 268.05151 162.7
[M-H]- 244.05501 158.8
[M+NH4]+ 263.09611 172.7
[M+K]+ 284.02545 158.7
[M+H-H2O]+ 228.05955 146.5
[M+HCOO]- 290.06049 170.7
[M+CH3COO]- 304.07614 165.8
[M+Na-2H]- 266.03696 153.2
[M]+ 245.06174 153.8
[M]- 245.06284 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe