CID 107150

Aminopropylon

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N(C)C
InChI
InChI=1S/C16H22N4O2/c1-11-14(17-15(21)12(2)18(3)4)16(22)20(19(11)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H,17,21)
InChIKey
UQNCVOXEVRELFR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2107
Patents

302.1743 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.181576 171.7
[M+Na]+ 325.163518 179.2
[M-H]- 301.167024 178.2
[M+NH4]+ 320.208123 186.3
[M+K]+ 341.137458 177.1
[M+H-H2O]+ 285.171560 162.7
[M+HCOO]- 347.172501 194.9
[M+CH3COO]- 361.188151 214.9
[M+Na-2H]- 323.148966 171.4
[M]+ 302.17375142 174.9
[M]- 302.17484858 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe