CID 135489933

Centmitor-1

Structural Information

Molecular Formula
C22H16BrN3O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)N/N=C/C4=CC(=C(C=C4)O)Br
InChI
InChI=1S/C22H16BrN3O3/c23-17-11-14(9-10-20(17)27)12-24-25-21(28)13-26-18-7-3-1-5-15(18)22(29)16-6-2-4-8-19(16)26/h1-12,27H,13H2,(H,25,28)/b24-12+
InChIKey
JOGAHIHJROVAFZ-WYMPLXKRSA-N
Compound name
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.0375 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.04478 195.3
[M+Na]+ 472.02672 206.1
[M-H]- 448.03022 204.8
[M+NH4]+ 467.07132 207.8
[M+K]+ 488.00066 192.9
[M+H-H2O]+ 432.03476 190.9
[M+HCOO]- 494.03570 215.2
[M+CH3COO]- 508.05135 206.5
[M+Na-2H]- 470.01217 202.9
[M]+ 449.03695 216.1
[M]- 449.03805 216.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.