CID 3006017

2,6-dimethyl-n'-[1-(2-quinolinyl)ethyl]-4-morpholinecarbothiohydrazide

Structural Information

Molecular Formula
C18H24N4OS
SMILES
CC1CN(CC(O1)C)C(=S)NNC(C)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H24N4OS/c1-12-10-22(11-13(2)23-12)18(24)21-20-14(3)16-9-8-15-6-4-5-7-17(15)19-16/h4-9,12-14,20H,10-11H2,1-3H3,(H,21,24)
InChIKey
FBAWXTFQHAESEE-UHFFFAOYSA-N
Compound name
2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.16708 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17436 181.5
[M+Na]+ 367.15630 186.0
[M-H]- 343.15980 185.9
[M+NH4]+ 362.20090 191.7
[M+K]+ 383.13024 181.7
[M+H-H2O]+ 327.16434 172.2
[M+HCOO]- 389.16528 192.0
[M+CH3COO]- 403.18093 189.7
[M+Na-2H]- 365.14175 183.0
[M]+ 344.16653 179.6
[M]- 344.16763 179.6
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.