CID 10250490

5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C19H16ClN3O3S
SMILES
C1=CC(=O)N(C=C1)C2=CC=C(C=C2)C(=O)NCCNC(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
InChIKey
UCKHUNHXYMAFQM-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-[[4-(2-oxopyridin-1-yl)benzoyl]amino]ethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

401.0601 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06738 192.3
[M+Na]+ 424.04932 199.8
[M-H]- 400.05282 201.4
[M+NH4]+ 419.09392 204.2
[M+K]+ 440.02326 193.0
[M+H-H2O]+ 384.05736 184.0
[M+HCOO]- 446.05830 207.5
[M+CH3COO]- 460.07395 220.3
[M+Na-2H]- 422.03477 191.8
[M]+ 401.05955 197.1
[M]- 401.06065 197.1
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