CID 3803471

577987-20-3

Structural Information

Molecular Formula
C24H18ClN5O3S
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H18ClN5O3S/c1-15-4-3-11-29-22(15)28-23-19(24(29)31)12-20(34(32,33)18-8-6-17(25)7-9-18)21(26)30(23)14-16-5-2-10-27-13-16/h2-13,26H,14H2,1H3
InChIKey
MMAPOHBXLGWXFE-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)sulfonyl-6-imino-11-methyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.08188 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.08916 215.1
[M+Na]+ 514.07110 235.4
[M+NH4]+ 509.11570 221.3
[M+K]+ 530.04504 223.7
[M-H]- 490.07460 221.0
[M+Na-2H]- 512.05655 225.6
[M]+ 491.08133 220.8
[M]- 491.08243 220.8
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.