CID 60650

Ipazilide

Structural Information

Molecular Formula
C24H30N4O
SMILES
CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H30N4O/c1-3-27(4-2)17-11-16-25-23(29)19-28-24(21-14-9-6-10-15-21)22(18-26-28)20-12-7-5-8-13-20/h5-10,12-15,18H,3-4,11,16-17,19H2,1-2H3,(H,25,29)
InChIKey
PRHCHMGCDBUACR-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-2-(4,5-diphenylpyrazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

327
Patents

390.24197 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.249246 198.2
[M+Na]+ 413.231188 201.5
[M-H]- 389.234694 205.8
[M+NH4]+ 408.275793 208.0
[M+K]+ 429.205128 196.3
[M+H-H2O]+ 373.239230 186.2
[M+HCOO]- 435.240171 220.5
[M+CH3COO]- 449.255821 229.5
[M+Na-2H]- 411.216636 198.6
[M]+ 390.24142142 200.4
[M]- 390.24251858 200.4
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