CID 25125014

Bs-194

Structural Information

Molecular Formula
C20H27N5O3
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)N[C@@H](CO)[C@@H](CO)O
InChI
InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
InChIKey
KRIWIRSMQRQYJG-DLBZAZTESA-N
Compound name
(2S,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

679
Patents

385.2114 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21868 190.4
[M+Na]+ 408.20062 194.6
[M-H]- 384.20412 190.7
[M+NH4]+ 403.24522 197.8
[M+K]+ 424.17456 189.7
[M+H-H2O]+ 368.20866 180.7
[M+HCOO]- 430.20960 205.9
[M+CH3COO]- 444.22525 221.0
[M+Na-2H]- 406.18607 191.8
[M]+ 385.21085 190.9
[M]- 385.21195 190.9
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.