CID 167713299

1337966-15-0

Structural Information

Molecular Formula
C23H32N4O
SMILES
CN(C)CCCN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C23H32N4O/c1-25(2)15-9-16-26(3)17-10-18-28-23-21-13-7-8-14-22(21)27(24-23)19-20-11-5-4-6-12-20/h4-8,11-14H,9-10,15-19H2,1-3H3
InChIKey
SONFAMYNSZDWHW-UHFFFAOYSA-N
Compound name
N'-[3-(1-benzylindazol-3-yl)oxypropyl]-N,N,N'-trimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.2576 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.26488 196.4
[M+Na]+ 403.24682 201.3
[M-H]- 379.25032 203.3
[M+NH4]+ 398.29142 208.8
[M+K]+ 419.22076 197.4
[M+H-H2O]+ 363.25486 184.8
[M+HCOO]- 425.25580 220.1
[M+CH3COO]- 439.27145 231.9
[M+Na-2H]- 401.23227 199.1
[M]+ 380.25705 203.6
[M]- 380.25815 203.6
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.