CID 322851

41276-23-7

Structural Information

Molecular Formula
C23H24ClN5O5S2
SMILES
CC1=CC=CC=C1CN2C3=C(CN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N)C(=O)N5C2=NCC5
InChI
InChI=1S/C23H24ClN5O5S2/c1-15-4-2-3-5-16(15)13-29-20-8-10-27(14-18(20)22(30)28-11-9-26-23(28)29)36(33,34)17-6-7-19(24)21(12-17)35(25,31)32/h2-7,12H,8-11,13-14H2,1H3,(H2,25,31,32)
InChIKey
VDMIXURZCFZVBO-UHFFFAOYSA-N
Compound name
2-chloro-5-[[2-[(2-methylphenyl)methyl]-8-oxo-2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3-dien-11-yl]sulfonyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

549.09076 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.09804 226.6
[M+Na]+ 572.07998 235.0
[M-H]- 548.08348 231.9
[M+NH4]+ 567.12458 230.8
[M+K]+ 588.05392 227.8
[M+H-H2O]+ 532.08802 219.5
[M+HCOO]- 594.08896 223.5
[M+CH3COO]- 608.10461 231.8
[M+Na-2H]- 570.06543 228.0
[M]+ 549.09021 230.3
[M]- 549.09131 230.3
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.