CID 512444

Schembl6311817

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC(=C)CN1CCNC(=O)C2=C1C3=C(O2)C=CC(=C3)OC
InChI
InChI=1S/C16H18N2O3/c1-10(2)9-18-7-6-17-16(19)15-14(18)12-8-11(20-3)4-5-13(12)21-15/h4-5,8H,1,6-7,9H2,2-3H3,(H,17,19)
InChIKey
UFMJESUEEOCRCX-UHFFFAOYSA-N
Compound name
9-methoxy-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-[1]benzofuro[3,2-e][1,4]diazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 163.7
[M+Na]+ 309.12096 172.1
[M-H]- 285.12446 167.8
[M+NH4]+ 304.16556 178.3
[M+K]+ 325.09490 172.0
[M+H-H2O]+ 269.12900 157.0
[M+HCOO]- 331.12994 179.5
[M+CH3COO]- 345.14559 174.7
[M+Na-2H]- 307.10641 166.6
[M]+ 286.13119 163.5
[M]- 286.13229 163.5
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