CID 45050890

853343-83-6

Structural Information

Molecular Formula
C25H30N2
SMILES
CC1CCCCN1C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C25H30N2/c1-18-9-7-8-16-27(18)24-17-23(26-22-11-6-5-10-21(22)24)19-12-14-20(15-13-19)25(2,3)4/h5-6,10-15,17-18H,7-9,16H2,1-4H3
InChIKey
XWCLYCDJGCFHSQ-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4-(2-methylpiperidin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2409 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.248176 194.0
[M+Na]+ 381.230118 199.4
[M-H]- 357.233624 200.6
[M+NH4]+ 376.274723 204.6
[M+K]+ 397.204058 192.2
[M+H-H2O]+ 341.238160 182.4
[M+HCOO]- 403.239101 206.7
[M+CH3COO]- 417.254751 202.0
[M+Na-2H]- 379.215566 196.1
[M]+ 358.24035142 190.1
[M]- 358.24144858 190.1
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.