CID 3079387

125602-57-5

Structural Information

Molecular Formula
C26H27ClN4O2
SMILES
C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCNC4=NC5=CC=CC=C5O4
InChI
InChI=1S/C26H27ClN4O2/c27-20-10-8-19(9-11-20)25(23-6-3-4-14-28-23)32-21-12-16-31(17-13-21)18-15-29-26-30-22-5-1-2-7-24(22)33-26/h1-11,14,21,25H,12-13,15-18H2,(H,29,30)
InChIKey
VBXZAGSHRLDYOC-UHFFFAOYSA-N
Compound name
N-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

462.18225 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.189526 209.6
[M+Na]+ 485.171468 214.4
[M-H]- 461.174974 218.3
[M+NH4]+ 480.216073 214.3
[M+K]+ 501.145408 207.5
[M+H-H2O]+ 445.179510 196.0
[M+HCOO]- 507.180451 220.3
[M+CH3COO]- 521.196101 216.2
[M+Na-2H]- 483.156916 210.9
[M]+ 462.18170142 210.8
[M]- 462.18279858 210.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe