CID 24846723

103687-06-5

Structural Information

Molecular Formula
C32H26ClN5O2S
SMILES
CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)CC3=NC4=CC=CC=C4NC(=C5C=C(C=CC5=N3)Cl)C6=CC=CC=C6
InChI
InChI=1S/C32H26ClN5O2S/c1-2-40-24-15-13-23(14-16-24)34-32-38(30(39)20-41-32)19-29-35-26-17-12-22(33)18-25(26)31(21-8-4-3-5-9-21)37-28-11-7-6-10-27(28)36-29/h3-18,37H,2,19-20H2,1H3
InChIKey
PKDPLQHDGUHIIQ-UHFFFAOYSA-N
Compound name
3-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.1496 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.15688 211.2
[M+Na]+ 602.13882 213.7
[M+NH4]+ 597.18342 211.9
[M+K]+ 618.11276 210.1
[M-H]- 578.14232 212.3
[M+Na-2H]- 600.12427 210.4
[M]+ 579.14905 212.1
[M]- 579.15015 212.1
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.