CID 3004015

Nsc622623

Structural Information

Molecular Formula
C14H23N3S
SMILES
CC(=NNC(=S)NC12CC3CC(C1)CC(C3)C2)C
InChI
InChI=1S/C14H23N3S/c1-9(2)16-17-13(18)15-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-8H2,1-2H3,(H2,15,17,18)
InChIKey
OKSVYMPTOSFZBE-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-(propan-2-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.16125 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16853 156.6
[M+Na]+ 288.15047 156.0
[M-H]- 264.15397 151.4
[M+NH4]+ 283.19507 180.0
[M+K]+ 304.12441 153.9
[M+H-H2O]+ 248.15851 151.2
[M+HCOO]- 310.15945 160.9
[M+CH3COO]- 324.17510 163.7
[M+Na-2H]- 286.13592 166.5
[M]+ 265.16070 156.7
[M]- 265.16180 156.7
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.