CID 6483293

3-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-n-(3-hydroxypropyl)-4-(3-thienyl)benzamide

Structural Information

Molecular Formula
C35H35N7O3S
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C4=NNN=N4)N=C2C5=CC=C(C=C5)OCC6=C(C=CC(=C6)C(=O)NCCCO)C7=CSC=C7
InChI
InChI=1S/C35H35N7O3S/c43-17-4-16-36-35(44)25-9-13-30(26-15-18-46-22-26)27(19-25)21-45-29-11-7-23(8-12-29)34-37-31-20-24(33-38-40-41-39-33)10-14-32(31)42(34)28-5-2-1-3-6-28/h7-15,18-20,22,28,43H,1-6,16-17,21H2,(H,36,44)(H,38,39,40,41)
InChIKey
AGVBLXNHHQQZPK-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-N-(3-hydroxypropyl)-4-thiophen-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.2522 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.25948 233.1
[M+Na]+ 656.24142 238.2
[M-H]- 632.24492 244.9
[M+NH4]+ 651.28602 231.3
[M+K]+ 672.21536 229.7
[M+H-H2O]+ 616.24946 222.4
[M+HCOO]- 678.25040 242.1
[M+CH3COO]- 692.26605 237.4
[M+Na-2H]- 654.22687 227.3
[M]+ 633.25165 235.6
[M]- 633.25275 235.6
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.