CID 446386

(1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone

Structural Information

Molecular Formula
C23H24N4O3
SMILES
CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)C4=NC=CN4C
InChI
InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3
InChIKey
VZBQJKIOAOUYJL-UHFFFAOYSA-N
Compound name
(1-methylimidazol-2-yl)-[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

404.18484 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19212 197.2
[M+Na]+ 427.17406 205.4
[M-H]- 403.17756 205.8
[M+NH4]+ 422.21866 206.7
[M+K]+ 443.14800 200.9
[M+H-H2O]+ 387.18210 186.7
[M+HCOO]- 449.18304 218.3
[M+CH3COO]- 463.19869 207.1
[M+Na-2H]- 425.15951 198.0
[M]+ 404.18429 204.3
[M]- 404.18539 204.3
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