CID 11525765

Azd-2327

Structural Information

Molecular Formula
C29H35FN4O
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)N)N3CCN(CC3)CC4=CC=C(C=C4)F
InChI
InChI=1S/C29H35FN4O/c1-3-33(4-2)29(35)24-12-10-23(11-13-24)28(25-6-5-7-27(31)20-25)34-18-16-32(17-19-34)21-22-8-14-26(30)15-9-22/h5-15,20,28H,3-4,16-19,21,31H2,1-2H3/t28-/m1/s1
InChIKey
XGFLMBBZEPJGHY-MUUNZHRXSA-N
Compound name
4-[(R)-(3-aminophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

27
Patents

474.27948 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.28676 220.3
[M+Na]+ 497.26870 221.2
[M-H]- 473.27220 227.6
[M+NH4]+ 492.31330 223.7
[M+K]+ 513.24264 214.6
[M+H-H2O]+ 457.27674 205.5
[M+HCOO]- 519.27768 233.9
[M+CH3COO]- 533.29333 246.8
[M+Na-2H]- 495.25415 216.2
[M]+ 474.27893 214.5
[M]- 474.28003 214.5
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