CID 167493856

Kif18a-in-6

Structural Information

Molecular Formula
C28H37N3O5S2
SMILES
CCS(=O)(=O)NC1=CC2=C(C=C1)N(CC23CCC4(CC4)CC3)C(=O)C5=CC(=CC=C5)S(=O)(=O)NC(C)(C)C
InChI
InChI=1S/C28H37N3O5S2/c1-5-37(33,34)29-21-9-10-24-23(18-21)28(15-13-27(11-12-27)14-16-28)19-31(24)25(32)20-7-6-8-22(17-20)38(35,36)30-26(2,3)4/h6-10,17-18,29-30H,5,11-16,19H2,1-4H3
InChIKey
AXRRVVWONHGXHG-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

559.21747 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.22475 220.7
[M+Na]+ 582.20669 224.8
[M-H]- 558.21019 227.2
[M+NH4]+ 577.25129 225.9
[M+K]+ 598.18063 221.0
[M+H-H2O]+ 542.21473 216.8
[M+HCOO]- 604.21567 223.2
[M+CH3COO]- 618.23132 248.0
[M+Na-2H]- 580.19214 228.7
[M]+ 559.21692 225.3
[M]- 559.21802 225.3
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

patents stripe