CID 3042083

59075-24-0

Structural Information

Molecular Formula
C20H21Cl2N3O
SMILES
CCCCNC(=O)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21Cl2N3O/c1-2-3-12-23-20(26)25-13-18(14-4-8-16(21)9-5-14)19(24-25)15-6-10-17(22)11-7-15/h4-11,18H,2-3,12-13H2,1H3,(H,23,26)
InChIKey
AJTNROOTTJXUPP-UHFFFAOYSA-N
Compound name
N-butyl-4,5-bis(4-chlorophenyl)-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.10617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.11345 193.4
[M+Na]+ 412.09539 201.4
[M-H]- 388.09889 199.5
[M+NH4]+ 407.13999 205.0
[M+K]+ 428.06933 193.2
[M+H-H2O]+ 372.10343 183.6
[M+HCOO]- 434.10437 204.2
[M+CH3COO]- 448.12002 202.4
[M+Na-2H]- 410.08084 191.9
[M]+ 389.10562 196.5
[M]- 389.10672 196.5
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.