CID 3069159

Brn 4574412

Structural Information

Molecular Formula
C19H22ClN3O3
SMILES
C1CN(CCN1CCCOC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3Cl
InChI
InChI=1S/C19H22ClN3O3/c20-16-6-1-2-7-17(16)22-13-11-21(12-14-22)10-5-15-26-19-9-4-3-8-18(19)23(24)25/h1-4,6-9H,5,10-15H2
InChIKey
RPMPXBGLLHHAAS-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[3-(2-nitrophenoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13498 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14226 189.4
[M+Na]+ 398.12420 192.8
[M-H]- 374.12770 194.7
[M+NH4]+ 393.16880 197.6
[M+K]+ 414.09814 183.0
[M+H-H2O]+ 358.13224 182.8
[M+HCOO]- 420.13318 202.6
[M+CH3COO]- 434.14883 210.0
[M+Na-2H]- 396.10965 192.9
[M]+ 375.13443 187.5
[M]- 375.13553 187.5
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.