CID 149831

80498-67-5

Structural Information

Molecular Formula
C23H28N4O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)C4=NCCN4
InChI
InChI=1S/C23H28N4O2/c1(2-16-28-20-8-4-18(5-9-20)22-24-12-13-25-22)3-17-29-21-10-6-19(7-11-21)23-26-14-15-27-23/h4-11H,1-3,12-17H2,(H,24,25)(H,26,27)
InChIKey
OIXYPNVIRVOZFH-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

392.22122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 192.2
[M+Na]+ 415.21044 195.5
[M-H]- 391.21394 196.4
[M+NH4]+ 410.25504 199.0
[M+K]+ 431.18438 188.4
[M+H-H2O]+ 375.21848 179.8
[M+HCOO]- 437.21942 206.9
[M+CH3COO]- 451.23507 198.9
[M+Na-2H]- 413.19589 190.3
[M]+ 392.22067 189.7
[M]- 392.22177 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe