CID 496727

Nsc697768

Structural Information

Molecular Formula
C14H16N2O4
SMILES
COCOC1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1
InChI
InChI=1S/C14H16N2O4/c1-19-8-20-9-6-12-13(17)15-11-5-3-2-4-10(11)14(18)16(12)7-9/h2-5,9,12H,6-8H2,1H3,(H,15,17)
InChIKey
INDFXRQEEDEGQN-UHFFFAOYSA-N
Compound name
8-(methoxymethoxy)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 159.7
[M+Na]+ 299.10022 166.8
[M-H]- 275.10372 162.5
[M+NH4]+ 294.14482 175.5
[M+K]+ 315.07416 166.7
[M+H-H2O]+ 259.10826 152.8
[M+HCOO]- 321.10920 175.3
[M+CH3COO]- 335.12485 197.6
[M+Na-2H]- 297.08567 162.4
[M]+ 276.11045 157.4
[M]- 276.11155 157.4
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.