CID 3054005

1,4,6,7-tetrahydro-1,4-diethyl-n-(1-methylethyl)-5h-imidazo(4,5-c)pyridine-5-carbothioamide

Structural Information

Molecular Formula
C14H24N4S
SMILES
CCC1C2=C(CCN1C(=S)NC(C)C)N(C=N2)CC
InChI
InChI=1S/C14H24N4S/c1-5-11-13-12(17(6-2)9-15-13)7-8-18(11)14(19)16-10(3)4/h9-11H,5-8H2,1-4H3,(H,16,19)
InChIKey
QUXKHZNZCYIGGS-UHFFFAOYSA-N
Compound name
1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.17218 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17946 168.6
[M+Na]+ 303.16140 175.5
[M-H]- 279.16490 168.8
[M+NH4]+ 298.20600 184.4
[M+K]+ 319.13534 171.5
[M+H-H2O]+ 263.16944 161.0
[M+HCOO]- 325.17038 179.4
[M+CH3COO]- 339.18603 204.1
[M+Na-2H]- 301.14685 165.9
[M]+ 280.17163 169.4
[M]- 280.17273 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe