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]+ 358.285276 193.2
[M+Na]+ 380.267218 197.2
[M-H]- 356.270724 197.3
[M+NH4]+ 375.311823 205.5
[M+K]+ 396.241158 193.1
[M+H-H2O]+ 340.275260 182.3
[M+HCOO]- 402.276201 214.7
[M+CH3COO]- 416.291851 223.5
[M+Na-2H]- 378.252666 192.7
[M]+ 357.27745142 199.6
[M]- 357.27854858 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.