CID 11820721

(1e)-1-(2-pyridinyl)ethanone n-cycloheptyl-n-methylthiosemicarbazone

Structural Information

Molecular Formula
C16H24N4S
SMILES
C/C(=N\NC(=S)N(C)C1CCCCCC1)/C2=CC=CC=N2
InChI
InChI=1S/C16H24N4S/c1-13(15-11-7-8-12-17-15)18-19-16(21)20(2)14-9-5-3-4-6-10-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,19,21)/b18-13+
InChIKey
WJGZVRHBXZRGPN-QGOAFFKASA-N
Compound name
1-cycloheptyl-1-methyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.17218 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17946 173.1
[M+Na]+ 327.16140 172.6
[M-H]- 303.16490 180.2
[M+NH4]+ 322.20600 185.8
[M+K]+ 343.13534 175.2
[M+H-H2O]+ 287.16944 163.3
[M+HCOO]- 349.17038 188.6
[M+CH3COO]- 363.18603 213.9
[M+Na-2H]- 325.14685 172.9
[M]+ 304.17163 166.4
[M]- 304.17273 166.4
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

No patent data available for this compound.