CID 71749842

Losartan-1-n-beta-d-glucuronide

Structural Information

Molecular Formula
C28H31ClN6O7
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CO)Cl
InChI
InChI=1S/C28H31ClN6O7/c1-2-3-8-20-30-25(29)19(14-36)34(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-31-32-33-35(26)27-23(39)21(37)22(38)24(42-27)28(40)41/h4-7,9-12,21-24,27,36-39H,2-3,8,13-14H2,1H3,(H,40,41)/t21-,22-,23+,24-,27+/m0/s1
InChIKey
OVOPSQNVVWGEQG-RTCYWULBSA-N
Compound name
(2S,3S,4S,5R,6R)-6-[5-[2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]tetrazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.1943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.201576 235.7
[M+Na]+ 621.183518 241.7
[M-H]- 597.187024 240.9
[M+NH4]+ 616.228123 230.0
[M+K]+ 637.157458 235.6
[M+H-H2O]+ 581.191560 224.1
[M+HCOO]- 643.192501 236.8
[M+CH3COO]- 657.208151 238.9
[M+Na-2H]- 619.168966 226.4
[M]+ 598.19375142 239.7
[M]- 598.19484858 239.7
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.