CID 5742892

Acetamide, n-[1-(1-deoxy-a-d-psicofuranosyl)-1,5-dihydro-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-3-yl]-

Structural Information

Molecular Formula
C16H20N6O5
SMILES
CC(=O)NC1=NN(C2=NC=NC3=C2C1=CN3C4([C@@H]([C@@H]([C@H](O4)CO)O)O)C)C
InChI
InChI=1S/C16H20N6O5/c1-7(24)19-13-8-4-22(16(2)12(26)11(25)9(5-23)27-16)15-10(8)14(17-6-18-15)21(3)20-13/h4,6,9,11-12,23,25-26H,5H2,1-3H3,(H,19,20,24)/t9-,11-,12-,16?/m1/s1
InChIKey
VIEVJAMJUNZMLL-JZVWYZPUSA-N
Compound name
N-[2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.1495 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15678 187.8
[M+Na]+ 399.13872 198.0
[M-H]- 375.14222 188.4
[M+NH4]+ 394.18332 198.0
[M+K]+ 415.11266 194.8
[M+H-H2O]+ 359.14676 180.3
[M+HCOO]- 421.14770 198.7
[M+CH3COO]- 435.16335 196.5
[M+Na-2H]- 397.12417 188.6
[M]+ 376.14895 192.0
[M]- 376.15005 192.0
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.