CID 489165

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

Structural Information

Molecular Formula
C28H24BrN5O2
SMILES
C1CCN(C1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)C4=C(C5=C(N4)C=CC(=C5)Br)C6=CC=CC=C6
InChI
InChI=1S/C28H24BrN5O2/c29-19-12-13-22-21(16-19)24(18-8-2-1-3-9-18)26(30-22)27(35)32-31-25-20-10-4-5-11-23(20)34(28(25)36)17-33-14-6-7-15-33/h1-5,8-13,16,30,36H,6-7,14-15,17H2
InChIKey
GLXXGYKAGGQVLN-UHFFFAOYSA-N
Compound name
5-bromo-N-[2-hydroxy-1-(pyrrolidin-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

541.1113 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.11858 219.7
[M+Na]+ 564.10052 229.3
[M-H]- 540.10402 234.4
[M+NH4]+ 559.14512 231.1
[M+K]+ 580.07446 216.9
[M+H-H2O]+ 524.10856 216.4
[M+HCOO]- 586.10950 238.9
[M+CH3COO]- 600.12515 229.6
[M+Na-2H]- 562.08597 218.6
[M]+ 541.11075 239.5
[M]- 541.11185 239.5
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.