CID 489164

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

Structural Information

Molecular Formula
C29H26BrN5O2
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)C4=C(C5=C(N4)C=CC(=C5)Br)C6=CC=CC=C6
InChI
InChI=1S/C29H26BrN5O2/c30-20-13-14-23-22(17-20)25(19-9-3-1-4-10-19)27(31-23)28(36)33-32-26-21-11-5-6-12-24(21)35(29(26)37)18-34-15-7-2-8-16-34/h1,3-6,9-14,17,31,37H,2,7-8,15-16,18H2
InChIKey
XOMWABMFVDWERX-UHFFFAOYSA-N
Compound name
5-bromo-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.127 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.13428 224.1
[M+Na]+ 578.11622 232.4
[M-H]- 554.11972 237.3
[M+NH4]+ 573.16082 232.8
[M+K]+ 594.09016 219.1
[M+H-H2O]+ 538.12426 219.3
[M+HCOO]- 600.12520 240.4
[M+CH3COO]- 614.14085 232.6
[M+Na-2H]- 576.10167 224.4
[M]+ 555.12645 241.8
[M]- 555.12755 241.8
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.