CID 86340175

Gsk-484

Structural Information

Molecular Formula
C27H31N5O3
SMILES
CN1C2=C(C=C(C=C2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)N=C1C4=CC5=CC=CC=C5N4CC6CC6
InChI
InChI=1S/C27H31N5O3/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3/t19-,23+/m0/s1
InChIKey
BDYDINKSILYBOL-WMZHIEFXSA-N
Compound name
[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

81
Patents

473.24268 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.24996 218.4
[M+Na]+ 496.23190 228.3
[M-H]- 472.23540 227.3
[M+NH4]+ 491.27650 221.2
[M+K]+ 512.20584 218.8
[M+H-H2O]+ 456.23994 209.3
[M+HCOO]- 518.24088 232.5
[M+CH3COO]- 532.25653 225.2
[M+Na-2H]- 494.21735 213.3
[M]+ 473.24213 222.4
[M]- 473.24323 222.4
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.