CID 71315578

1185255-99-5

Structural Information

Molecular Formula
C33H34N6O6
SMILES
CCN1C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C5=C(C=CC=C5NC4=O)C(=O)OC(C)OC(=O)OC6CCCCC6
InChI
InChI=1S/C33H34N6O6/c1-3-39-30(35-36-37-39)26-13-8-7-12-25(26)23-18-16-22(17-19-23)20-38-29-27(14-9-15-28(29)34-32(38)41)31(40)43-21(2)44-33(42)45-24-10-5-4-6-11-24/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,34,41)
InChIKey
DEGBAMTUFHKMQR-UHFFFAOYSA-N
Compound name
1-cyclohexyloxycarbonyloxyethyl 3-[[4-[2-(1-ethyltetrazol-5-yl)phenyl]phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.25397 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.26125 241.1
[M+Na]+ 633.24319 254.0
[M+NH4]+ 628.28779 242.6
[M+K]+ 649.21713 252.8
[M-H]- 609.24669 245.4
[M+Na-2H]- 631.22864 247.8
[M]+ 610.25342 243.8
[M]- 610.25452 243.8
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.