CID 3080177

Sr 27195

Structural Information

Molecular Formula
C26H22BrN3O3
SMILES
CN(C1=CC=C(C=C1)OC)C(=O)CNC2=C3C=CC(=CC3=NC=C2C(=O)C4=CC=CC=C4)Br
InChI
InChI=1S/C26H22BrN3O3/c1-30(19-9-11-20(33-2)12-10-19)24(31)16-29-25-21-13-8-18(27)14-23(21)28-15-22(25)26(32)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,28,29)
InChIKey
NYTLAKBDMJWEBL-UHFFFAOYSA-N
Compound name
2-[(3-benzoyl-7-bromoquinolin-4-yl)amino]-N-(4-methoxyphenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.08444 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.09172 212.7
[M+Na]+ 526.07366 219.3
[M-H]- 502.07716 224.2
[M+NH4]+ 521.11826 221.8
[M+K]+ 542.04760 208.0
[M+H-H2O]+ 486.08170 207.0
[M+HCOO]- 548.08264 230.8
[M+CH3COO]- 562.09829 243.6
[M+Na-2H]- 524.05911 215.7
[M]+ 503.08389 232.9
[M]- 503.08499 232.9
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.