CID 71508291

Suvn-d4010

Structural Information

Molecular Formula
C21H29N5O2
SMILES
CC(C)N1C2=CC=CC=C2C(=N1)C3=NN=C(O3)C4CCN(CC4)CCCOC
InChI
InChI=1S/C21H29N5O2/c1-15(2)26-18-8-5-4-7-17(18)19(24-26)21-23-22-20(28-21)16-9-12-25(13-10-16)11-6-14-27-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3
InChIKey
DWTFBJGTRBMHPG-UHFFFAOYSA-N
Compound name
2-[1-(3-methoxypropyl)piperidin-4-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

98
Patents

383.23212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23940 194.8
[M+Na]+ 406.22134 201.8
[M-H]- 382.22484 199.6
[M+NH4]+ 401.26594 202.7
[M+K]+ 422.19528 197.5
[M+H-H2O]+ 366.22938 183.1
[M+HCOO]- 428.23032 208.1
[M+CH3COO]- 442.24597 203.0
[M+Na-2H]- 404.20679 192.0
[M]+ 383.23157 197.9
[M]- 383.23267 197.9
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