CID 5272784

Schembl9804013

Structural Information

Molecular Formula
C25H27N3O
SMILES
CC1=NC2=CC=CC=C2C(=C1)OCCCCCCC3=CC=NN3C4=CC=CC=C4
InChI
InChI=1S/C25H27N3O/c1-20-19-25(23-14-8-9-15-24(23)27-20)29-18-10-3-2-5-13-22-16-17-26-28(22)21-11-6-4-7-12-21/h4,6-9,11-12,14-17,19H,2-3,5,10,13,18H2,1H3
InChIKey
GEVXXRGQJLFPCN-UHFFFAOYSA-N
Compound name
2-methyl-4-[6-(2-phenylpyrazol-3-yl)hexoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

385.21542 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22270 197.4
[M+Na]+ 408.20464 205.1
[M-H]- 384.20814 203.6
[M+NH4]+ 403.24924 207.2
[M+K]+ 424.17858 197.1
[M+H-H2O]+ 368.21268 184.9
[M+HCOO]- 430.21362 217.0
[M+CH3COO]- 444.22927 206.4
[M+Na-2H]- 406.19009 200.4
[M]+ 385.21487 202.0
[M]- 385.21597 202.0
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.