CID 9579463

127142-00-1

Structural Information

Molecular Formula
C15H23N7OS2
SMILES
C/C(=N\NC(=S)NNC(=S)NCCN1CCOCC1)/C2=CC=CC=N2
InChI
InChI=1S/C15H23N7OS2/c1-12(13-4-2-3-5-16-13)18-20-15(25)21-19-14(24)17-6-7-22-8-10-23-11-9-22/h2-5H,6-11H2,1H3,(H2,17,19,24)(H2,20,21,25)/b18-12+
InChIKey
DHYSXADJQXLCMJ-LDADJPATSA-N
Compound name
1-(2-morpholin-4-ylethyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.14056 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14784 183.0
[M+Na]+ 404.12978 183.3
[M-H]- 380.13328 186.3
[M+NH4]+ 399.17438 189.9
[M+K]+ 420.10372 178.4
[M+H-H2O]+ 364.13782 172.7
[M+HCOO]- 426.13876 192.8
[M+CH3COO]- 440.15441 225.5
[M+Na-2H]- 402.11523 185.9
[M]+ 381.14001 178.0
[M]- 381.14111 178.0
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.