CID 3047135

62951-79-5

Structural Information

Molecular Formula
C23H36N4O2
SMILES
CCCCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C(CC(C)C)N(C)C
InChI
InChI=1S/C23H36N4O2/c1-8-9-15-26(22(28)20(24(5)6)16-17(2)3)21-18(4)25(7)27(23(21)29)19-13-11-10-12-14-19/h10-14,17,20H,8-9,15-16H2,1-7H3
InChIKey
QHVHVJABEOCWHW-UHFFFAOYSA-N
Compound name
N-butyl-2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2838 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.29108 202.4
[M+Na]+ 423.27302 206.7
[M-H]- 399.27652 209.2
[M+NH4]+ 418.31762 213.5
[M+K]+ 439.24696 205.0
[M+H-H2O]+ 383.28106 192.3
[M+HCOO]- 445.28200 222.7
[M+CH3COO]- 459.29765 239.7
[M+Na-2H]- 421.25847 196.8
[M]+ 400.28325 208.7
[M]- 400.28435 208.7
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