CID 3079370

125575-09-9

Structural Information

Molecular Formula
C23H30N4O3
SMILES
CCOC1=CC=C(C=C1)C(=NCCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N
InChI
InChI=1S/C23H30N4O3/c1-2-28-20-6-4-19(5-7-20)23(24)25-9-10-26-11-13-27(14-12-26)16-18-3-8-21-22(15-18)30-17-29-21/h3-8,15H,2,9-14,16-17H2,1H3,(H2,24,25)
InChIKey
DZJLYMMUUCRXDM-UHFFFAOYSA-N
Compound name
N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.23178 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23906 201.3
[M+Na]+ 433.22100 203.7
[M-H]- 409.22450 209.6
[M+NH4]+ 428.26560 208.0
[M+K]+ 449.19494 201.1
[M+H-H2O]+ 393.22904 189.6
[M+HCOO]- 455.22998 216.6
[M+CH3COO]- 469.24563 208.5
[M+Na-2H]- 431.20645 201.4
[M]+ 410.23123 200.2
[M]- 410.23233 200.2
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.