CID 3074036

1-piperidinepropanamide, n-(5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-, monohydrochloride

Structural Information

Molecular Formula
C19H26N4O4S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(S2)NC(=O)CCN3CCCCC3
InChI
InChI=1S/C19H26N4O4S/c1-25-14-11-13(12-15(26-2)17(14)27-3)18-21-22-19(28-18)20-16(24)7-10-23-8-5-4-6-9-23/h11-12H,4-10H2,1-3H3,(H,20,22,24)
InChIKey
INYBSUONLDPMKA-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.16748 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17476 194.8
[M+Na]+ 429.15670 199.7
[M-H]- 405.16020 200.2
[M+NH4]+ 424.20130 203.3
[M+K]+ 445.13064 195.9
[M+H-H2O]+ 389.16474 184.5
[M+HCOO]- 451.16568 207.5
[M+CH3COO]- 465.18133 222.7
[M+Na-2H]- 427.14215 191.9
[M]+ 406.16693 198.5
[M]- 406.16803 198.5
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

No patent data available for this compound.