CID 366543

Nsc635164

Structural Information

Molecular Formula
C11H14N4O5
SMILES
C1C(OC(C1O)N2C=NC3=C2C(=O)NCC(=O)N3)CO
InChI
InChI=1S/C11H14N4O5/c16-3-5-1-6(17)11(20-5)15-4-13-9-8(15)10(19)12-2-7(18)14-9/h4-6,11,16-17H,1-3H2,(H,12,19)(H,14,18)
InChIKey
FHIDRWXEEGMIOH-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0964 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 163.8
[M+Na]+ 305.08562 170.1
[M-H]- 281.08912 163.9
[M+NH4]+ 300.13022 173.9
[M+K]+ 321.05956 170.2
[M+H-H2O]+ 265.09366 154.4
[M+HCOO]- 327.09460 173.5
[M+CH3COO]- 341.11025 172.0
[M+Na-2H]- 303.07107 161.7
[M]+ 282.09585 156.8
[M]- 282.09695 156.8
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.