CID 66555680

Debio-1347

Structural Information

Molecular Formula
C20H16N6O
SMILES
CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N
InChI
InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)
InChIKey
BEMNJULZEQTDJY-UHFFFAOYSA-N
Compound name
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

1173
Patents

356.13855 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14583 181.0
[M+Na]+ 379.12777 192.7
[M-H]- 355.13127 187.1
[M+NH4]+ 374.17237 192.9
[M+K]+ 395.10171 184.6
[M+H-H2O]+ 339.13581 172.1
[M+HCOO]- 401.13675 199.7
[M+CH3COO]- 415.15240 191.3
[M+Na-2H]- 377.11322 181.1
[M]+ 356.13800 182.7
[M]- 356.13910 182.7
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