CID 3070153

1h-imidazol-2-amine, 4,5-dihydro-n-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, pentahydrochloride

Structural Information

Molecular Formula
C23H31N5O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NC4=NCCN4
InChI
InChI=1S/C23H31N5O2/c1-29-22-6-3-2-5-21(22)28-16-14-27(15-17-28)13-4-18-30-20-9-7-19(8-10-20)26-23-24-11-12-25-23/h2-3,5-10H,4,11-18H2,1H3,(H2,24,25,26)
InChIKey
ASUGKLANVZKVLH-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.24777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.25505 198.6
[M+Na]+ 432.23699 200.6
[M-H]- 408.24049 203.2
[M+NH4]+ 427.28159 203.2
[M+K]+ 448.21093 193.8
[M+H-H2O]+ 392.24503 184.9
[M+HCOO]- 454.24597 211.9
[M+CH3COO]- 468.26162 204.2
[M+Na-2H]- 430.22244 198.1
[M]+ 409.24722 193.8
[M]- 409.24832 193.8
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.