CID 9579031

1-[(z)-[1-adamantyl(2-pyridyl)methylene]amino]-3-amino-thiourea

Structural Information

Molecular Formula
C17H23N5S
SMILES
C1C2CC3CC1CC(C2)(C3)/C(=N/NC(=S)NN)/C4=CC=CC=N4
InChI
InChI=1S/C17H23N5S/c18-20-16(23)22-21-15(14-3-1-2-4-19-14)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10,18H2,(H2,20,22,23)/b21-15+
InChIKey
HSXLNDYJUCQYJO-RCCKNPSSSA-N
Compound name
1-[(Z)-[1-adamantyl(pyridin-2-yl)methylidene]amino]-3-aminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.16742 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17470 161.3
[M+Na]+ 352.15664 160.3
[M-H]- 328.16014 157.2
[M+NH4]+ 347.20124 180.0
[M+K]+ 368.13058 157.4
[M+H-H2O]+ 312.16468 153.9
[M+HCOO]- 374.16562 165.9
[M+CH3COO]- 388.18127 167.3
[M+Na-2H]- 350.14209 173.6
[M]+ 329.16687 159.7
[M]- 329.16797 159.7
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.