CID 154659422

M1069

Structural Information

Molecular Formula
C21H26N4O4S
SMILES
COC1=NC=C(C2=C1N=C(S2)NC(=O)N3CC[C@]4(C3)CCCOC4)C5=CCOCC5
InChI
InChI=1S/C21H26N4O4S/c1-27-18-16-17(15(11-22-18)14-3-9-28-10-4-14)30-19(23-16)24-20(26)25-7-6-21(12-25)5-2-8-29-13-21/h3,11H,2,4-10,12-13H2,1H3,(H,23,24,26)/t21-/m0/s1
InChIKey
CSSAKLQGJYJMNW-NRFANRHFSA-N
Compound name
(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

430.16748 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17476 196.2
[M+Na]+ 453.15670 206.5
[M+NH4]+ 448.20130 204.2
[M+K]+ 469.13064 201.4
[M-H]- 429.16020 203.5
[M+Na-2H]- 451.14215 201.7
[M]+ 430.16693 200.1
[M]- 430.16803 200.1
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