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]+ 410.255046 198.6
[M+Na]+ 432.236988 200.6
[M-H]- 408.240494 203.2
[M+NH4]+ 427.281593 203.2
[M+K]+ 448.210928 193.8
[M+H-H2O]+ 392.245030 184.9
[M+HCOO]- 454.245971 211.9
[M+CH3COO]- 468.261621 204.2
[M+Na-2H]- 430.222436 198.1
[M]+ 409.24722142 193.8
[M]- 409.24831858 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.