CID 129642493

Losartan hexal

Structural Information

Molecular Formula
C28H23ClN6O7
SMILES
CCC(C=O)(C=O)C(C=O)(C=O)C1=NC(=C(N1C(C=O)(C=O)C2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl
InChI
InChI=1S/C28H23ClN6O7/c1-2-26(12-37,13-38)27(14-39,15-40)25-30-23(29)22(11-36)35(25)28(16-41,17-42)19-9-7-18(8-10-19)20-5-3-4-6-21(20)24-31-33-34-32-24/h3-10,12-17,36H,2,11H2,1H3,(H,31,32,33,34)
InChIKey
QVBXSOFZHGRYBW-UHFFFAOYSA-N
Compound name
1-[4-chloro-1-[1,3-dioxo-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-2-yl]-5-(hydroxymethyl)imidazol-2-yl]butane-1,1,2,2-tetracarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.13165 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.13893 236.9
[M+Na]+ 613.12087 243.6
[M-H]- 589.12437 242.0
[M+NH4]+ 608.16547 233.8
[M+K]+ 629.09481 236.9
[M+H-H2O]+ 573.12891 225.3
[M+HCOO]- 635.12985 242.8
[M+CH3COO]- 649.14550 247.1
[M+Na-2H]- 611.10632 238.0
[M]+ 590.13110 244.3
[M]- 590.13220 244.3
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.