CID 3175303

3-[(1-benzyl-1h-1,2,3,4-tetrazol-5-yl)(4-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1,2-dihydroquinolin-2-one hydrochloride

Structural Information

Molecular Formula
C26H30N6O
SMILES
CC1CCN(CC1)C(C2=CC3=C(C(=C(C=C3)C)C)NC2=O)C4=NN=NN4CC5=CC=CC=C5
InChI
InChI=1S/C26H30N6O/c1-17-11-13-31(14-12-17)24(25-28-29-30-32(25)16-20-7-5-4-6-8-20)22-15-21-10-9-18(2)19(3)23(21)27-26(22)33/h4-10,15,17,24H,11-14,16H2,1-3H3,(H,27,33)
InChIKey
HQSYIGKARJHPNI-UHFFFAOYSA-N
Compound name
3-[(1-benzyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.2481 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.25538 214.0
[M+Na]+ 465.23732 221.4
[M-H]- 441.24082 218.5
[M+NH4]+ 460.28192 216.3
[M+K]+ 481.21126 211.3
[M+H-H2O]+ 425.24536 199.5
[M+HCOO]- 487.24630 223.4
[M+CH3COO]- 501.26195 219.5
[M+Na-2H]- 463.22277 211.7
[M]+ 442.24755 211.7
[M]- 442.24865 211.7
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.