CID 1115488

Brn 4892306

Structural Information

Molecular Formula
C21H28N4O3S
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CN(C5=C4C=C(C=C5)S(=O)(=O)N(C)C)C)C
InChI
InChI=1S/C21H28N4O3S/c1-20-10-24-12-21(2,19(20)26)13-25(11-20)18(24)16-9-23(5)17-7-6-14(8-15(16)17)29(27,28)22(3)4/h6-9,18H,10-13H2,1-5H3
InChIKey
QQLPYXHYJADDCX-UHFFFAOYSA-N
Compound name
3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-N,N,1-trimethylindole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.1882 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.19548 195.4
[M+Na]+ 439.17742 201.1
[M-H]- 415.18092 192.1
[M+NH4]+ 434.22202 214.3
[M+K]+ 455.15136 198.3
[M+H-H2O]+ 399.18546 187.0
[M+HCOO]- 461.18640 194.9
[M+CH3COO]- 475.20205 201.7
[M+Na-2H]- 437.16287 204.6
[M]+ 416.18765 205.1
[M]- 416.18875 205.1
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

patents stripe