CID 209215

19477-46-4

Structural Information

Molecular Formula
C22H35N3O
SMILES
CCCCN(CCCC)CCCOC1=CC(=NN1CC2=CC=CC=C2)C
InChI
InChI=1S/C22H35N3O/c1-4-6-14-24(15-7-5-2)16-11-17-26-22-18-20(3)23-25(22)19-21-12-9-8-10-13-21/h8-10,12-13,18H,4-7,11,14-17,19H2,1-3H3
InChIKey
CYLOTRLTNDVQQX-UHFFFAOYSA-N
Compound name
N-[3-(2-benzyl-5-methylpyrazol-3-yl)oxypropyl]-N-butylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.278 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.28528 193.2
[M+Na]+ 380.26722 197.2
[M-H]- 356.27072 197.3
[M+NH4]+ 375.31182 205.5
[M+K]+ 396.24116 193.1
[M+H-H2O]+ 340.27526 182.3
[M+HCOO]- 402.27620 214.7
[M+CH3COO]- 416.29185 223.5
[M+Na-2H]- 378.25267 192.7
[M]+ 357.27745 199.6
[M]- 357.27855 199.6
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.