CID 137542570

Rad51-in-2

Structural Information

Molecular Formula
C27H40N4O6S2
SMILES
CC(C)OC(=O)NC1CCC(CC1)C2=NC=C(S2)C3=C(C=C(C=C3)NC(=O)OC(C)C)S(=O)(=O)NC(C)(C)C
InChI
InChI=1S/C27H40N4O6S2/c1-16(2)36-25(32)29-19-10-8-18(9-11-19)24-28-15-22(38-24)21-13-12-20(30-26(33)37-17(3)4)14-23(21)39(34,35)31-27(5,6)7/h12-19,31H,8-11H2,1-7H3,(H,29,32)(H,30,33)
InChIKey
OVXFEICGTUUFPE-UHFFFAOYSA-N
Compound name
propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

580.23895 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.24623 229.5
[M+Na]+ 603.22817 231.7
[M+NH4]+ 598.27277 231.1
[M+K]+ 619.20211 229.4
[M-H]- 579.23167 230.5
[M+Na-2H]- 601.21362 232.0
[M]+ 580.23840 230.3
[M]- 580.23950 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

patents stripe