CID 3066971

80712-45-4

Structural Information

Molecular Formula
C12H19N5O2S
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=NC=CS2
InChI
InChI=1S/C12H19N5O2S/c1-14(2)11(18)15(3)12(19)17-7-5-16(6-8-17)10-13-4-9-20-10/h4,9H,5-8H2,1-3H3
InChIKey
DUWZDTXSIHRVBD-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12595 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13323 168.5
[M+Na]+ 320.11517 172.8
[M-H]- 296.11867 173.7
[M+NH4]+ 315.15977 182.4
[M+K]+ 336.08911 172.7
[M+H-H2O]+ 280.12321 159.2
[M+HCOO]- 342.12415 182.9
[M+CH3COO]- 356.13980 208.2
[M+Na-2H]- 318.10062 166.6
[M]+ 297.12540 168.9
[M]- 297.12650 168.9
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.