CID 53112

Brn 4580197

Structural Information

Molecular Formula
C27H25N3O2
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C27H25N3O2/c1-18-9-14-25-23(15-18)26(16-19(2)29-25)32-27(31)22-7-5-6-8-24(22)28-17-20-10-12-21(13-11-20)30(3)4/h5-17H,1-4H3
InChIKey
UAWMIBNWJPTYCE-UHFFFAOYSA-N
Compound name
(2,6-dimethylquinolin-4-yl) 2-[[4-(dimethylamino)phenyl]methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19467 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20195 207.2
[M+Na]+ 446.18389 213.9
[M-H]- 422.18739 218.8
[M+NH4]+ 441.22849 217.0
[M+K]+ 462.15783 208.7
[M+H-H2O]+ 406.19193 194.6
[M+HCOO]- 468.19287 230.0
[M+CH3COO]- 482.20852 240.5
[M+Na-2H]- 444.16934 209.7
[M]+ 423.19412 211.1
[M]- 423.19522 211.1
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.