CID 71426606

918645-81-5

Structural Information

Molecular Formula
C22H22N2O
SMILES
CC1(C2=CC=CC=C2N(C(=O)C1(C)C)C3=CC4=CC=CC=C4N=C3)C
InChI
InChI=1S/C22H22N2O/c1-21(2)17-10-6-8-12-19(17)24(20(25)22(21,3)4)16-13-15-9-5-7-11-18(15)23-14-16/h5-14H,1-4H3
InChIKey
LJTUJCWGAUIJHQ-UHFFFAOYSA-N
Compound name
3,3,4,4-tetramethyl-1-quinolin-3-ylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17322 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 182.1
[M+Na]+ 353.16244 192.8
[M-H]- 329.16594 188.2
[M+NH4]+ 348.20704 199.5
[M+K]+ 369.13638 186.2
[M+H-H2O]+ 313.17048 171.0
[M+HCOO]- 375.17142 197.8
[M+CH3COO]- 389.18707 192.7
[M+Na-2H]- 351.14789 187.9
[M]+ 330.17267 182.5
[M]- 330.17377 182.5
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

patents stripe