CID 6483240

[1,1'-biphenyl]-4-carboxamide, 2-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)-1h-benzimidazol-2-yl]phenoxy]methyl]-3'-hydroxy-n-(3-hydroxypropyl)-

Structural Information

Molecular Formula
C37H37N7O4
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=CC(=CC=C7)O
InChI
InChI=1S/C37H37N7O4/c45-19-5-18-38-37(47)27-12-16-32(25-6-4-9-30(46)21-25)28(20-27)23-48-31-14-10-24(11-15-31)36-39-33-22-26(35-40-42-43-41-35)13-17-34(33)44(36)29-7-2-1-3-8-29/h4,6,9-17,20-22,29,45-46H,1-3,5,7-8,18-19,23H2,(H,38,47)(H,40,41,42,43)
InChIKey
RCRDLMPTIBKWGB-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)-N-(3-hydroxypropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

643.2907 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.29798 240.4
[M+Na]+ 666.27992 242.0
[M-H]- 642.28342 249.1
[M+NH4]+ 661.32452 233.5
[M+K]+ 682.25386 232.7
[M+H-H2O]+ 626.28796 225.3
[M+HCOO]- 688.28890 247.7
[M+CH3COO]- 702.30455 241.9
[M+Na-2H]- 664.26537 236.0
[M]+ 643.29015 237.6
[M]- 643.29125 237.6
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.