CID 3062490

5h-imidazo(2,1-c)(1,4)benzodiazepine, 8-benzyloxy-7-methoxy-

Structural Information

Molecular Formula
C19H17N3O2
SMILES
COC1=C(C=C2C(=C1)CN3C=CN=C3C=N2)OCC4=CC=CC=C4
InChI
InChI=1S/C19H17N3O2/c1-23-17-9-15-12-22-8-7-20-19(22)11-21-16(15)10-18(17)24-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKey
YYWAYIIVSITJJV-UHFFFAOYSA-N
Compound name
8-methoxy-7-phenylmethoxy-10H-imidazo[2,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 175.6
[M+Na]+ 342.12130 184.6
[M-H]- 318.12480 182.0
[M+NH4]+ 337.16590 189.0
[M+K]+ 358.09524 182.7
[M+H-H2O]+ 302.12934 165.9
[M+HCOO]- 364.13028 194.5
[M+CH3COO]- 378.14593 186.3
[M+Na-2H]- 340.10675 181.2
[M]+ 319.13153 176.9
[M]- 319.13263 176.9
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.