CID 135565465

Foliglurax

Structural Information

Molecular Formula
C23H23N3O3S
SMILES
C1COCCN1CCCC2=CC\3=C(C=C2)OC(=C/C3=N\O)C4=NC=C5C=CSC5=C4
InChI
InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2/b25-19+
InChIKey
ZTEDNASHAWNBKQ-NCELDCMTSA-N
Compound name
(NE)-N-[6-(3-morpholin-4-ylpropyl)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

105
Patents

421.14603 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.15331 196.5
[M+Na]+ 444.13525 204.9
[M-H]- 420.13875 206.5
[M+NH4]+ 439.17985 205.2
[M+K]+ 460.10919 200.3
[M+H-H2O]+ 404.14329 186.9
[M+HCOO]- 466.14423 209.5
[M+CH3COO]- 480.15988 205.7
[M+Na-2H]- 442.12070 199.7
[M]+ 421.14548 200.3
[M]- 421.14658 200.3
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