CID 11223423

Emicerfont

Structural Information

Molecular Formula
C22H24N6O2
SMILES
CC1=CC(=C2CCN(C2=N1)C3=C(C=C(C=C3)OC)C)N4C=CC(=N4)N5CCNC5=O
InChI
InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)
InChIKey
JFHJGXQFESYQGY-UHFFFAOYSA-N
Compound name
1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

109
Patents

404.19608 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 198.2
[M+Na]+ 427.18530 211.2
[M+NH4]+ 422.22990 203.3
[M+K]+ 443.15924 210.9
[M-H]- 403.18880 201.6
[M+Na-2H]- 425.17075 203.3
[M]+ 404.19553 200.8
[M]- 404.19663 200.8
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