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]+ 410.174206 200.5
[M+Na]+ 432.156148 209.7
[M-H]- 408.159654 205.6
[M+NH4]+ 427.200753 210.9
[M+K]+ 448.130088 200.4
[M+H-H2O]+ 392.164190 187.6
[M+HCOO]- 454.165131 207.6
[M+CH3COO]- 468.180781 207.9
[M+Na-2H]- 430.141596 197.5
[M]+ 409.16638142 198.2
[M]- 409.16747858 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.