CID 509403

Schembl7482060

Structural Information

Molecular Formula
C19H24N6OS
SMILES
C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C19H24N6OS/c20-13-14-7-9-15(10-8-14)17(26)23-19-25-24-18(27-19)22-12-4-11-21-16-5-2-1-3-6-16/h7-10,16,21H,1-6,11-12H2,(H,22,24)(H,23,25,26)
InChIKey
BVJDURICOSKBOI-UHFFFAOYSA-N
Compound name
4-cyano-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

384.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18050 190.5
[M+Na]+ 407.16244 195.2
[M-H]- 383.16594 194.4
[M+NH4]+ 402.20704 198.8
[M+K]+ 423.13638 188.7
[M+H-H2O]+ 367.17048 173.5
[M+HCOO]- 429.17142 202.3
[M+CH3COO]- 443.18707 196.3
[M+Na-2H]- 405.14789 189.9
[M]+ 384.17267 182.3
[M]- 384.17377 182.3
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

No patent data available for this compound.