CID 324815

55894-85-4

Structural Information

Molecular Formula
C17H17N3O3
SMILES
COCN1C(=O)CN=C(C2=C1C=CC(=C2)NO)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O3/c1-23-11-20-15-8-7-13(19-22)9-14(15)17(18-10-16(20)21)12-5-3-2-4-6-12/h2-9,19,22H,10-11H2,1H3
InChIKey
PRKKAHMFTDRRCR-UHFFFAOYSA-N
Compound name
7-(hydroxyamino)-1-(methoxymethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.12698 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 172.3
[M+Na]+ 334.11620 179.2
[M-H]- 310.11970 177.5
[M+NH4]+ 329.16080 183.7
[M+K]+ 350.09014 179.6
[M+H-H2O]+ 294.12424 163.2
[M+HCOO]- 356.12518 191.1
[M+CH3COO]- 370.14083 182.2
[M+Na-2H]- 332.10165 177.7
[M]+ 311.12643 170.3
[M]- 311.12753 170.3
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

patents stripe