CID 9588716

Brn 4898937

Structural Information

Molecular Formula
C34H27ClN6O3S
SMILES
C1COCCN1CN2C3=CC=CC=C3/C(=N\C4=NC(=C(S4)N=NC5=CC=C(C=C5)OC6=CC=C(C=C6)Cl)C7=CC=CC=C7)/C2=O
InChI
InChI=1S/C34H27ClN6O3S/c35-24-10-14-26(15-11-24)44-27-16-12-25(13-17-27)38-39-32-30(23-6-2-1-3-7-23)36-34(45-32)37-31-28-8-4-5-9-29(28)41(33(31)42)22-40-18-20-43-21-19-40/h1-17H,18-22H2/b37-31+,39-38?
InChIKey
GFKNPEJIUGFVRI-JTJCPQIOSA-N
Compound name
(3E)-3-[[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]-1-(morpholin-4-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.1554 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.16268 248.7
[M+Na]+ 657.14462 255.1
[M-H]- 633.14812 267.7
[M+NH4]+ 652.18922 250.3
[M+K]+ 673.11856 248.5
[M+H-H2O]+ 617.15266 235.2
[M+HCOO]- 679.15360 261.0
[M+CH3COO]- 693.16925 254.7
[M+Na-2H]- 655.13007 245.4
[M]+ 634.15485 253.6
[M]- 634.15595 253.6
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.