CID 3079315

Brn 4204461

Structural Information

Molecular Formula
C23H27N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C23H27N3O/c1-16(2)25(17(3)4)23(27)21-18(5)26(20-14-10-7-11-15-20)24-22(21)19-12-8-6-9-13-19/h6-17H,1-5H3
InChIKey
AVHLXTKZXKTGJM-UHFFFAOYSA-N
Compound name
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.21542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.222696 190.2
[M+Na]+ 384.204638 195.4
[M-H]- 360.208144 198.8
[M+NH4]+ 379.249243 201.8
[M+K]+ 400.178578 191.5
[M+H-H2O]+ 344.212680 179.7
[M+HCOO]- 406.213621 210.0
[M+CH3COO]- 420.229271 224.6
[M+Na-2H]- 382.190086 187.6
[M]+ 361.21487142 192.2
[M]- 361.21596858 192.2
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.