CID 59881

Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-n-propyl-, trihydrochloride

Structural Information

Molecular Formula
C23H33N3O2
SMILES
CCCNC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C23H33N3O2/c1-3-13-24-20-9-11-21(12-10-20)28-19-6-14-25-15-17-26(18-16-25)22-7-4-5-8-23(22)27-2/h4-5,7-12,24H,3,6,13-19H2,1-2H3
InChIKey
PKBPQJKULDUNFE-UHFFFAOYSA-N
Compound name
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.25726 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.26454 196.8
[M+Na]+ 406.24648 199.1
[M-H]- 382.24998 201.7
[M+NH4]+ 401.29108 204.6
[M+K]+ 422.22042 193.7
[M+H-H2O]+ 366.25452 184.3
[M+HCOO]- 428.25546 213.6
[M+CH3COO]- 442.27111 223.4
[M+Na-2H]- 404.23193 197.9
[M]+ 383.25671 196.0
[M]- 383.25781 196.0
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.