CID 3079316

125103-46-0

Structural Information

Molecular Formula
C23H27N3O
SMILES
CCCN(CCC)C(=O)C1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C23H27N3O/c1-4-16-25(17-5-2)23(27)21-18(3)26(20-14-10-7-11-15-20)24-22(21)19-12-8-6-9-13-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey
MYQMRAYZGYAGHU-UHFFFAOYSA-N
Compound name
5-methyl-1,3-diphenyl-N,N-dipropylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.21542 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 191.2
[M+Na]+ 384.20464 196.9
[M-H]- 360.20814 199.4
[M+NH4]+ 379.24924 202.9
[M+K]+ 400.17858 191.8
[M+H-H2O]+ 344.21268 180.0
[M+HCOO]- 406.21362 212.8
[M+CH3COO]- 420.22927 222.8
[M+Na-2H]- 382.19009 190.6
[M]+ 361.21487 194.2
[M]- 361.21597 194.2
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.