CID 59873

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

Structural Information

Molecular Formula
C23H33N3O2
SMILES
CC(C)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C23H33N3O2/c1-19(2)24-20-9-11-21(12-10-20)28-18-6-13-25-14-16-26(17-15-25)22-7-4-5-8-23(22)27-3/h4-5,7-12,19,24H,6,13-18H2,1-3H3
InChIKey
ZOSUQLSHVUSVSK-UHFFFAOYSA-N
Compound name
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.25726 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.26454 197.0
[M+Na]+ 406.24648 199.1
[M-H]- 382.24998 202.1
[M+NH4]+ 401.29108 204.8
[M+K]+ 422.22042 194.3
[M+H-H2O]+ 366.25452 184.8
[M+HCOO]- 428.25546 212.9
[M+CH3COO]- 442.27111 224.3
[M+Na-2H]- 404.23193 197.0
[M]+ 383.25671 195.7
[M]- 383.25781 195.7
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.