CID 1739298

2-naphthyl 6-methyl-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C27H19NO2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5
InChI
InChI=1S/C27H19NO2/c1-18-11-14-25-23(15-18)24(17-26(28-25)20-8-3-2-4-9-20)27(29)30-22-13-12-19-7-5-6-10-21(19)16-22/h2-17H,1H3
InChIKey
GQPUSPHSUALYIR-UHFFFAOYSA-N
Compound name
naphthalen-2-yl 6-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.14157 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14885 197.0
[M+Na]+ 412.13079 205.7
[M-H]- 388.13429 207.0
[M+NH4]+ 407.17539 207.9
[M+K]+ 428.10473 198.1
[M+H-H2O]+ 372.13883 184.6
[M+HCOO]- 434.13977 216.3
[M+CH3COO]- 448.15542 206.6
[M+Na-2H]- 410.11624 202.8
[M]+ 389.14102 199.0
[M]- 389.14212 199.0
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.