CID 52934180

1301214-47-0

Structural Information

Molecular Formula
C23H27N5O2
SMILES
CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC4(CC3)CC5=C(C(=O)C4)N(N=C5)C(C)C
InChI
InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)
InChIKey
BDXXSFOJPYSYOC-UHFFFAOYSA-N
Compound name
1'-(2-methyl-3H-benzimidazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

34
Patents

405.21646 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 199.0
[M+Na]+ 428.20568 210.9
[M+NH4]+ 423.25028 206.1
[M+K]+ 444.17962 206.8
[M-H]- 404.20918 200.8
[M+Na-2H]- 426.19113 202.8
[M]+ 405.21591 201.1
[M]- 405.21701 201.1
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