CID 24846724

103687-08-7

Structural Information

Molecular Formula
C34H30ClN5O2S
SMILES
CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)CCCC3=NC4=CC=CC=C4NC(=C5C=C(C=CC5=N3)Cl)C6=CC=CC=C6
InChI
InChI=1S/C34H30ClN5O2S/c1-2-42-26-17-15-25(16-18-26)36-34-40(32(41)22-43-34)20-8-13-31-37-28-19-14-24(35)21-27(28)33(23-9-4-3-5-10-23)39-30-12-7-6-11-29(30)38-31/h3-7,9-12,14-19,21,39H,2,8,13,20,22H2,1H3
InChIKey
XSUDXZBRBDYWDD-UHFFFAOYSA-N
Compound name
3-[3-(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)propyl]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.18085 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.18813 212.8
[M+Na]+ 630.17007 215.3
[M+NH4]+ 625.21467 213.5
[M+K]+ 646.14401 211.6
[M-H]- 606.17357 213.9
[M+Na-2H]- 628.15552 211.9
[M]+ 607.18030 213.7
[M]- 607.18140 213.7
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.