CID 3049121

Brn 0586698

Structural Information

Molecular Formula
C20H25N3O5
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H25N3O5/c1-27-20-8-3-2-7-19(20)22-11-9-21(10-12-22)14-17(24)15-28-18-6-4-5-16(13-18)23(25)26/h2-8,13,17,24H,9-12,14-15H2,1H3
InChIKey
ZKRCQIASNAMCRK-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1794 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.186676 190.8
[M+Na]+ 410.168618 192.2
[M-H]- 386.172124 195.2
[M+NH4]+ 405.213223 196.7
[M+K]+ 426.142558 184.5
[M+H-H2O]+ 370.176660 183.7
[M+HCOO]- 432.177601 206.3
[M+CH3COO]- 446.193251 211.8
[M+Na-2H]- 408.154066 193.7
[M]+ 387.17885142 187.3
[M]- 387.17994858 187.3
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.