CID 297019

1,3,8-triazaspiro(4.5)decan-4-one, 8-((5-chloro-2-benzimidazolyl)methyl)-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C22H24ClN5O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C22H24ClN5O/c1-26-15-28(17-5-3-2-4-6-17)22(21(26)29)9-11-27(12-10-22)14-20-24-18-8-7-16(23)13-19(18)25-20/h2-8,13H,9-12,14-15H2,1H3,(H,24,25)
InChIKey
YVTPCSBROSQGKQ-UHFFFAOYSA-N
Compound name
8-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16693 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17421 200.5
[M+Na]+ 432.15615 209.7
[M-H]- 408.15965 205.6
[M+NH4]+ 427.20075 210.9
[M+K]+ 448.13009 200.4
[M+H-H2O]+ 392.16419 187.6
[M+HCOO]- 454.16513 207.6
[M+CH3COO]- 468.18078 207.9
[M+Na-2H]- 430.14160 197.5
[M]+ 409.16638 198.2
[M]- 409.16748 198.2
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.