CID 489167

5-bromo-n-[(e)-[1-(diethylaminomethyl)-2-oxo-indolin-3-ylidene]amino]-3-phenyl-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C28H26BrN5O2
SMILES
CCN(CC)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C28H26BrN5O2/c1-3-33(4-2)17-34-23-13-9-8-12-20(23)25(28(34)36)31-32-27(35)26-24(18-10-6-5-7-11-18)21-16-19(29)14-15-22(21)30-26/h5-16,30,36H,3-4,17H2,1-2H3
InChIKey
ONLLVHXSBHHJKI-UHFFFAOYSA-N
Compound name
5-bromo-N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.127 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.13428 224.4
[M+Na]+ 566.11622 234.1
[M-H]- 542.11972 237.9
[M+NH4]+ 561.16082 235.9
[M+K]+ 582.09016 221.6
[M+H-H2O]+ 526.12426 219.7
[M+HCOO]- 588.12520 246.4
[M+CH3COO]- 602.14085 234.5
[M+Na-2H]- 564.10167 226.0
[M]+ 543.12645 248.1
[M]- 543.12755 248.1
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.