CID 509852

Schembl7485344

Structural Information

Molecular Formula
C19H27N5O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCCCNC3CCCCC3
InChI
InChI=1S/C19H27N5O2S/c1-26-16-11-6-5-10-15(16)17(25)22-19-24-23-18(27-19)21-13-7-12-20-14-8-3-2-4-9-14/h5-6,10-11,14,20H,2-4,7-9,12-13H2,1H3,(H,21,23)(H,22,24,25)
InChIKey
HWCUAFZRDPMHJF-UHFFFAOYSA-N
Compound name
N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19582 187.2
[M+Na]+ 412.17776 189.2
[M-H]- 388.18126 193.0
[M+NH4]+ 407.22236 196.7
[M+K]+ 428.15170 184.2
[M+H-H2O]+ 372.18580 176.7
[M+HCOO]- 434.18674 203.0
[M+CH3COO]- 448.20239 223.5
[M+Na-2H]- 410.16321 187.5
[M]+ 389.18799 185.7
[M]- 389.18909 185.7
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