CID 357309

Nsc615526

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C(=O)O
InChI
InChI=1S/C22H18N2O2/c1-24(2)16-10-7-15(8-11-16)20-13-18(22(25)26)21-17-6-4-3-5-14(17)9-12-19(21)23-20/h3-13H,1-2H3,(H,25,26)
InChIKey
PSFYQEVZRLXDOH-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]benzo[f]quinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 181.1
[M+Na]+ 365.12606 189.8
[M-H]- 341.12956 188.7
[M+NH4]+ 360.17066 194.5
[M+K]+ 381.10000 184.3
[M+H-H2O]+ 325.13410 171.0
[M+HCOO]- 387.13504 201.4
[M+CH3COO]- 401.15069 191.9
[M+Na-2H]- 363.11151 187.3
[M]+ 342.13629 183.8
[M]- 342.13739 183.8
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.