CID 509435

Schembl7486928

Structural Information

Molecular Formula
C18H24BrN5OS
SMILES
C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H24BrN5OS/c19-14-9-7-13(8-10-14)16(25)22-18-24-23-17(26-18)21-12-4-11-20-15-5-2-1-3-6-15/h7-10,15,20H,1-6,11-12H2,(H,21,23)(H,22,24,25)
InChIKey
RHXJSWVVEFEWNP-UHFFFAOYSA-N
Compound name
4-bromo-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

437.0885 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09578 182.0
[M+Na]+ 460.07772 187.8
[M-H]- 436.08122 190.2
[M+NH4]+ 455.12232 193.8
[M+K]+ 476.05166 174.0
[M+H-H2O]+ 420.08576 178.1
[M+HCOO]- 482.08670 196.0
[M+CH3COO]- 496.10235 225.7
[M+Na-2H]- 458.06317 184.4
[M]+ 437.08795 197.5
[M]- 437.08905 197.5
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