CID 3070141

Brn 4581847

Structural Information

Molecular Formula
C22H29N5O
SMILES
C1CN=C(N1)NC2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H29N5O/c1-2-5-20(6-3-1)27-16-14-26(15-17-27)13-4-18-28-21-9-7-19(8-10-21)25-22-23-11-12-24-22/h1-3,5-10H,4,11-18H2,(H2,23,24,25)
InChIKey
AJPPBZUOMNEVEX-UHFFFAOYSA-N
Compound name
N-[4-[3-(4-phenylpiperazin-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

379.2372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.24448 190.7
[M+Na]+ 402.22642 192.5
[M-H]- 378.22992 195.0
[M+NH4]+ 397.27102 196.4
[M+K]+ 418.20036 185.2
[M+H-H2O]+ 362.23446 177.1
[M+HCOO]- 424.23540 204.2
[M+CH3COO]- 438.25105 196.6
[M+Na-2H]- 400.21187 191.4
[M]+ 379.23665 183.8
[M]- 379.23775 183.8
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.