CID 99342

Sensorad

Structural Information

Molecular Formula
C25H30N2
SMILES
CC1=CC(NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)NC(C=C4C)(C)C)(C)C
InChI
InChI=1S/C25H30N2/c1-16-14-24(3,4)26-22-9-7-18(12-20(16)22)11-19-8-10-23-21(13-19)17(2)15-25(5,6)27-23/h7-10,12-15,26-27H,11H2,1-6H3
InChIKey
ADHZMOYUJKFKSE-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

78
Patents

358.2409 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24818 193.5
[M+Na]+ 381.23012 202.9
[M-H]- 357.23362 196.7
[M+NH4]+ 376.27472 208.9
[M+K]+ 397.20406 194.0
[M+H-H2O]+ 341.23816 183.1
[M+HCOO]- 403.23910 204.8
[M+CH3COO]- 417.25475 202.0
[M+Na-2H]- 379.21557 196.2
[M]+ 358.24035 191.1
[M]- 358.24145 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe