CID 146618

1,2,3,10,11,11a-hexahydro-11-methoxy-6-methyl-5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1=C2C(=CC=C1)NC(C3CCCN3C2=O)OC
InChI
InChI=1S/C14H18N2O2/c1-9-5-3-6-10-12(9)14(17)16-8-4-7-11(16)13(15-10)18-2/h3,5-6,11,13,15H,4,7-8H2,1-2H3
InChIKey
UXNPROXHFNBLDJ-UHFFFAOYSA-N
Compound name
6-methoxy-1-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 154.9
[M+Na]+ 269.12605 164.4
[M+NH4]+ 264.17065 162.1
[M+K]+ 285.09999 161.5
[M-H]- 245.12955 155.4
[M+Na-2H]- 267.11150 157.2
[M]+ 246.13628 156.2
[M]- 246.13738 156.2
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.