CID 480186

1,4-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-1,4-diazepane

Structural Information

Molecular Formula
C23H28N6
SMILES
C1CN(CCN(C1)C2=CC=C(C=C2)C3=NCCN3)C4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C23H28N6/c1-14-28(20-6-2-18(3-7-20)22-24-10-11-25-22)16-17-29(15-1)21-8-4-19(5-9-21)23-26-12-13-27-23/h2-9H,1,10-17H2,(H,24,25)(H,26,27)
InChIKey
LGBPUWVGKYAELY-UHFFFAOYSA-N
Compound name
1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

388.23755 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24483 196.5
[M+Na]+ 411.22677 199.4
[M-H]- 387.23027 202.2
[M+NH4]+ 406.27137 200.1
[M+K]+ 427.20071 193.7
[M+H-H2O]+ 371.23481 180.2
[M+HCOO]- 433.23575 204.9
[M+CH3COO]- 447.25140 201.2
[M+Na-2H]- 409.21222 191.6
[M]+ 388.23700 183.9
[M]- 388.23810 183.9
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