CID 3047133

62951-77-3

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CCCCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C(C)N(C)C
InChI
InChI=1S/C20H30N4O2/c1-7-8-14-23(19(25)16(3)21(4)5)18-15(2)22(6)24(20(18)26)17-12-10-9-11-13-17/h9-13,16H,7-8,14H2,1-6H3
InChIKey
KBWFHQOKZPEFIU-UHFFFAOYSA-N
Compound name
N-butyl-2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.23688 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.244156 189.2
[M+Na]+ 381.226098 195.1
[M-H]- 357.229604 196.5
[M+NH4]+ 376.270703 202.2
[M+K]+ 397.200038 193.5
[M+H-H2O]+ 341.234140 179.5
[M+HCOO]- 403.235081 211.6
[M+CH3COO]- 417.250731 230.1
[M+Na-2H]- 379.211546 186.2
[M]+ 358.23633142 195.1
[M]- 358.23742858 195.1
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

patents stripe