CID 3004054

Nsc624469

Structural Information

Molecular Formula
C15H20N4OS
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=NC(=S)N4)N
InChI
InChI=1S/C15H20N4OS/c16-12-6-11(17-15(21)18-12)14(20)19-13-9-2-7-1-8(4-9)5-10(13)3-7/h6-10,13H,1-5H2,(H,19,20)(H3,16,17,18,21)
InChIKey
MXIQQRILRIJOAT-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-4-amino-2-sulfanylidene-1H-pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13577 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14305 162.4
[M+Na]+ 327.12499 164.4
[M-H]- 303.12849 155.9
[M+NH4]+ 322.16959 179.0
[M+K]+ 343.09893 160.0
[M+H-H2O]+ 287.13303 156.0
[M+HCOO]- 349.13397 162.6
[M+CH3COO]- 363.14962 168.4
[M+Na-2H]- 325.11044 170.9
[M]+ 304.13522 161.3
[M]- 304.13632 161.3
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.