CID 3077595

Brn 4894080

Structural Information

Molecular Formula
C22H28Cl2N4O3S
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=C4C=C(C=C5)S(=O)(=O)N(CCCl)CCCl)C
InChI
InChI=1S/C22H28Cl2N4O3S/c1-21-11-26-13-22(2,20(21)29)14-27(12-21)19(26)17-10-25-18-4-3-15(9-16(17)18)32(30,31)28(7-5-23)8-6-24/h3-4,9-10,19,25H,5-8,11-14H2,1-2H3
InChIKey
JQCYXXSXKJJPRZ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-1H-indole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.12592 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.13320 207.3
[M+Na]+ 521.11514 217.8
[M+NH4]+ 516.15974 218.0
[M+K]+ 537.08908 206.3
[M-H]- 497.11864 204.6
[M+Na-2H]- 519.10059 206.1
[M]+ 498.12537 209.3
[M]- 498.12647 209.3
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.