CID 3058238

Brn 4590296

Structural Information

Molecular Formula
C27H25N3O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C27H25N3O3/c1-18-15-26(23-16-21(32-4)13-14-25(23)29-18)33-27(31)22-7-5-6-8-24(22)28-17-19-9-11-20(12-10-19)30(2)3/h5-17H,1-4H3
InChIKey
RSRFASGHSVLYDW-UHFFFAOYSA-N
Compound name
(6-methoxy-2-methylquinolin-4-yl) 2-[[4-(dimethylamino)phenyl]methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1896 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19688 210.2
[M+Na]+ 462.17882 216.5
[M-H]- 438.18232 221.7
[M+NH4]+ 457.22342 219.1
[M+K]+ 478.15276 212.2
[M+H-H2O]+ 422.18686 197.3
[M+HCOO]- 484.18780 233.1
[M+CH3COO]- 498.20345 242.6
[M+Na-2H]- 460.16427 212.7
[M]+ 439.18905 215.3
[M]- 439.19015 215.3
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.