CID 378078

Nsc659811

Structural Information

Molecular Formula
C29H28N4O
SMILES
C1CCN(CC1)C2=C(C(C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4O)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C29H28N4O/c34-26-16-8-5-13-21(26)22-19-25(20-11-3-1-4-12-20)32-29(33-17-9-2-10-18-33)27(22)28-30-23-14-6-7-15-24(23)31-28/h1,3-8,11-16,19,22,32,34H,2,9-10,17-18H2,(H,30,31)
InChIKey
XECDJUHIUDDYCD-UHFFFAOYSA-N
Compound name
2-[3-(1H-benzimidazol-2-yl)-6-phenyl-2-piperidin-1-yl-1,4-dihydropyridin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.22632 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.23360 209.3
[M+Na]+ 471.21554 214.0
[M-H]- 447.21904 215.9
[M+NH4]+ 466.26014 211.9
[M+K]+ 487.18948 202.5
[M+H-H2O]+ 431.22358 195.2
[M+HCOO]- 493.22452 218.2
[M+CH3COO]- 507.24017 214.0
[M+Na-2H]- 469.20099 208.3
[M]+ 448.22577 200.5
[M]- 448.22687 200.5
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

No patent data available for this compound.