CID 2848163

137987-37-2

Structural Information

Molecular Formula
C18H17N3O2
SMILES
COC1=CC=C(C=C1)C2C3=C(CNC3=O)NC4=CC=CC=C4N2
InChI
InChI=1S/C18H17N3O2/c1-23-12-8-6-11(7-9-12)17-16-15(10-19-18(16)22)20-13-4-2-3-5-14(13)21-17/h2-9,17,20-21H,10H2,1H3,(H,19,22)
InChIKey
DHTAOKLCLVWLJI-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

307.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.139356 173.9
[M+Na]+ 330.121298 181.3
[M-H]- 306.124804 176.4
[M+NH4]+ 325.165903 185.9
[M+K]+ 346.095238 177.4
[M+H-H2O]+ 290.129340 165.3
[M+HCOO]- 352.130281 186.4
[M+CH3COO]- 366.145931 182.5
[M+Na-2H]- 328.106746 176.4
[M]+ 307.13153142 167.2
[M]- 307.13262858 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.