CID 53342708

Azd-5213

Structural Information

Molecular Formula
C19H25N3O2
SMILES
C1CC(C1)N2CCN(CC2)C(=O)[C@H]3C[C@@H]3C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C19H25N3O2/c20-18(23)14-6-4-13(5-7-14)16-12-17(16)19(24)22-10-8-21(9-11-22)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2,(H2,20,23)/t16-,17+/m1/s1
InChIKey
VCQZCDSEWSFTPO-SJORKVTESA-N
Compound name
4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

29
Patents

327.19467 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 180.7
[M+Na]+ 350.18389 188.1
[M+NH4]+ 345.22849 184.1
[M+K]+ 366.15783 185.4
[M-H]- 326.18739 189.4
[M+Na-2H]- 348.16934 186.3
[M]+ 327.19412 183.9
[M]- 327.19522 183.9
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