CID 13259009

6-chloro-2-(5-chloro-2-thienyl)-n,n-dipropylimidazo(1,2-a)pyridine-3-acetamide

Structural Information

Molecular Formula
C19H21Cl2N3OS
SMILES
CCCN(CCC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(S3)Cl
InChI
InChI=1S/C19H21Cl2N3OS/c1-3-9-23(10-4-2)18(25)11-14-19(15-6-7-16(21)26-15)22-17-8-5-13(20)12-24(14)17/h5-8,12H,3-4,9-11H2,1-2H3
InChIKey
ZKJAZGXLAIWDKI-UHFFFAOYSA-N
Compound name
2-[6-chloro-2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

409.07825 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08553 198.5
[M+Na]+ 432.06747 209.3
[M-H]- 408.07097 205.5
[M+NH4]+ 427.11207 214.2
[M+K]+ 448.04141 202.6
[M+H-H2O]+ 392.07551 191.4
[M+HCOO]- 454.07645 207.4
[M+CH3COO]- 468.09210 208.9
[M+Na-2H]- 430.05292 194.3
[M]+ 409.07770 209.8
[M]- 409.07880 209.8
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