CID 3001909

N-[1-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]imidazo[4,5-c]pyridin-4-yl]benzamide

Structural Information

Molecular Formula
C19H20N4O4
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2C=CN=C3NC(=O)C4=CC=CC=C4)O)O)CO
InChI
InChI=1S/C19H20N4O4/c24-9-12-8-14(17(26)16(12)25)23-10-21-15-13(23)6-7-20-18(15)22-19(27)11-4-2-1-3-5-11/h1-7,10,12,14,16-17,24-26H,8-9H2,(H,20,22,27)/t12-,14-,16-,17+/m1/s1
InChIKey
NOEAFFXKIGRSRV-WNOSKKOXSA-N
Compound name
N-[1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]imidazo[4,5-c]pyridin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.14847 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 182.9
[M+Na]+ 391.13769 190.0
[M-H]- 367.14119 187.5
[M+NH4]+ 386.18229 193.3
[M+K]+ 407.11163 184.5
[M+H-H2O]+ 351.14573 174.1
[M+HCOO]- 413.14667 199.3
[M+CH3COO]- 427.16232 191.8
[M+Na-2H]- 389.12314 182.4
[M]+ 368.14792 182.1
[M]- 368.14902 182.1
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.