CID 3066947

80712-24-9

Structural Information

Molecular Formula
C15H21FN4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=CC=C2)F
InChI
InChI=1S/C15H21FN4O2/c1-17(2)14(21)18(3)15(22)20-9-7-19(8-10-20)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3
InChIKey
JUNZCZVONGDGAF-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-4-(3-fluorophenyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.16486 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17214 172.3
[M+Na]+ 331.15408 176.1
[M-H]- 307.15758 176.9
[M+NH4]+ 326.19868 184.7
[M+K]+ 347.12802 175.5
[M+H-H2O]+ 291.16212 161.4
[M+HCOO]- 353.16306 190.2
[M+CH3COO]- 367.17871 214.8
[M+Na-2H]- 329.13953 172.2
[M]+ 308.16431 169.2
[M]- 308.16541 169.2
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.