CID 478558

4,6-dimethyl-2-phenylquinoline

Structural Information

Molecular Formula
C17H15N
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C)C3=CC=CC=C3
InChI
InChI=1S/C17H15N/c1-12-8-9-16-15(10-12)13(2)11-17(18-16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey
ZDPMJMKMPWMUKK-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

233.12045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12773 153.0
[M+Na]+ 256.10967 162.7
[M-H]- 232.11317 159.7
[M+NH4]+ 251.15427 170.9
[M+K]+ 272.08361 157.1
[M+H-H2O]+ 216.11771 144.6
[M+HCOO]- 278.11865 174.9
[M+CH3COO]- 292.13430 166.0
[M+Na-2H]- 254.09512 160.5
[M]+ 233.11990 153.4
[M]- 233.12100 153.4
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