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

0
Patents

358.23688 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24416 189.2
[M+Na]+ 381.22610 195.1
[M-H]- 357.22960 196.5
[M+NH4]+ 376.27070 202.2
[M+K]+ 397.20004 193.5
[M+H-H2O]+ 341.23414 179.5
[M+HCOO]- 403.23508 211.6
[M+CH3COO]- 417.25073 230.1
[M+Na-2H]- 379.21155 186.2
[M]+ 358.23633 195.1
[M]- 358.23743 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

No patent data available for this compound.