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]+ 362.222696 191.2
[M+Na]+ 384.204638 196.9
[M-H]- 360.208144 199.4
[M+NH4]+ 379.249243 202.9
[M+K]+ 400.178578 191.8
[M+H-H2O]+ 344.212680 180.0
[M+HCOO]- 406.213621 212.8
[M+CH3COO]- 420.229271 222.8
[M+Na-2H]- 382.190086 190.6
[M]+ 361.21487142 194.2
[M]- 361.21596858 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.