CID 489166

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

Structural Information

Molecular Formula
C26H22BrN5O2
SMILES
CN(C)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C26H22BrN5O2/c1-31(2)15-32-21-11-7-6-10-18(21)23(26(32)34)29-30-25(33)24-22(16-8-4-3-5-9-16)19-14-17(27)12-13-20(19)28-24/h3-14,28,34H,15H2,1-2H3
InChIKey
ZGEYYCICYMACJB-UHFFFAOYSA-N
Compound name
5-bromo-N-[1-[(dimethylamino)methyl]-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

515.0957 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.10298 215.8
[M+Na]+ 538.08492 226.4
[M-H]- 514.08842 229.8
[M+NH4]+ 533.12952 228.4
[M+K]+ 554.05886 214.2
[M+H-H2O]+ 498.09296 211.5
[M+HCOO]- 560.09390 238.6
[M+CH3COO]- 574.10955 226.8
[M+Na-2H]- 536.07037 218.5
[M]+ 515.09515 239.1
[M]- 515.09625 239.1
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.