CID 509381

Schembl7481428

Structural Information

Molecular Formula
C18H33ClN4OS
SMILES
CCCCCCCCCCCNC1=NN=C(S1)NC(=O)CCCCCl
InChI
InChI=1S/C18H33ClN4OS/c1-2-3-4-5-6-7-8-9-12-15-20-17-22-23-18(25-17)21-16(24)13-10-11-14-19/h2-15H2,1H3,(H,20,22)(H,21,23,24)
InChIKey
DRZLYBQAEYRFNC-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

388.20636 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21364 194.8
[M+Na]+ 411.19558 198.2
[M-H]- 387.19908 194.2
[M+NH4]+ 406.24018 206.5
[M+K]+ 427.16952 191.7
[M+H-H2O]+ 371.20362 185.8
[M+HCOO]- 433.20456 206.1
[M+CH3COO]- 447.22021 222.9
[M+Na-2H]- 409.18103 191.8
[M]+ 388.20581 202.4
[M]- 388.20691 202.4
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