CID 3070134

2h-pyrrol-5-amine, 3,4-dihydro-n-(3-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride

Structural Information

Molecular Formula
C23H30N4O
SMILES
C1CC(=NC1)NC2=CC(=CC=C2)OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N4O/c1-2-8-21(9-3-1)27-16-14-26(15-17-27)13-6-18-28-22-10-4-7-20(19-22)25-23-11-5-12-24-23/h1-4,7-10,19H,5-6,11-18H2,(H,24,25)
InChIKey
JNKSNXPFMQFGCC-UHFFFAOYSA-N
Compound name
N-[3-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.24197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24925 191.8
[M+Na]+ 401.23119 193.5
[M-H]- 377.23469 198.5
[M+NH4]+ 396.27579 199.5
[M+K]+ 417.20513 187.1
[M+H-H2O]+ 361.23923 178.4
[M+HCOO]- 423.24017 207.8
[M+CH3COO]- 437.25582 198.6
[M+Na-2H]- 399.21664 192.1
[M]+ 378.24142 186.4
[M]- 378.24252 186.4
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.