CID 509315

Schembl7485201

Structural Information

Molecular Formula
C18H23Cl2N5OS
SMILES
C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C18H23Cl2N5OS/c19-13-8-4-9-14(20)15(13)16(26)23-18-25-24-17(27-18)22-11-5-10-21-12-6-2-1-3-7-12/h4,8-9,12,21H,1-3,5-7,10-11H2,(H,22,24)(H,23,25,26)
InChIKey
PRYCMRCGTFXEGV-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

427.10004 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.10732 195.7
[M+Na]+ 450.08926 200.1
[M-H]- 426.09276 201.2
[M+NH4]+ 445.13386 205.5
[M+K]+ 466.06320 192.6
[M+H-H2O]+ 410.09730 186.8
[M+HCOO]- 472.09824 201.9
[M+CH3COO]- 486.11389 202.7
[M+Na-2H]- 448.07471 194.0
[M]+ 427.09949 196.2
[M]- 427.10059 196.2
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