CID 65909

Zaldaride

Structural Information

Molecular Formula
C26H28N4O2
SMILES
CC1(C2=CC=CN2C3=CC=CC=C3CO1)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O
InChI
InChI=1S/C26H28N4O2/c1-26(24-11-6-14-29(24)22-9-4-2-7-19(22)17-32-26)18-28-15-12-20(13-16-28)30-23-10-5-3-8-21(23)27-25(30)31/h2-11,14,20H,12-13,15-18H2,1H3,(H,27,31)
InChIKey
HTGCJAAPDHZCHL-UHFFFAOYSA-N
Compound name
3-[1-[(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

80
References

142
Patents

428.22122 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22850 208.0
[M+Na]+ 451.21044 220.9
[M+NH4]+ 446.25504 215.8
[M+K]+ 467.18438 215.3
[M-H]- 427.21394 213.3
[M+Na-2H]- 449.19589 213.1
[M]+ 428.22067 211.6
[M]- 428.22177 211.6
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