CID 6863697

304893-86-5

Structural Information

Molecular Formula
C22H18BrN3O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=CC(=CC=C4)Br
InChI
InChI=1S/C22H18BrN3O/c23-17-7-5-6-16(14-17)15-24-25-22(27)12-13-26-20-10-3-1-8-18(20)19-9-2-4-11-21(19)26/h1-11,14-15H,12-13H2,(H,25,27)/b24-15+
InChIKey
DXCJTHFGQUESIC-BUVRLJJBSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-3-carbazol-9-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.06332 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.07060 193.4
[M+Na]+ 442.05254 203.8
[M-H]- 418.05604 204.0
[M+NH4]+ 437.09714 209.7
[M+K]+ 458.02648 190.2
[M+H-H2O]+ 402.06058 190.0
[M+HCOO]- 464.06152 215.6
[M+CH3COO]- 478.07717 205.4
[M+Na-2H]- 440.03799 199.8
[M]+ 419.06277 214.3
[M]- 419.06387 214.3
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.