CID 146619

5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1=CC2=C(C=C1)NC(C3CCCN3C2=O)OC
InChI
InChI=1S/C14H18N2O2/c1-9-5-6-11-10(8-9)14(17)16-7-3-4-12(16)13(15-11)18-2/h5-6,8,12-13,15H,3-4,7H2,1-2H3
InChIKey
JDVBSBADDFBZHE-UHFFFAOYSA-N
Compound name
6-methoxy-2-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 155.2
[M+Na]+ 269.12605 162.5
[M-H]- 245.12955 158.1
[M+NH4]+ 264.17065 172.5
[M+K]+ 285.09999 161.4
[M+H-H2O]+ 229.13409 148.5
[M+HCOO]- 291.13503 170.4
[M+CH3COO]- 305.15068 166.0
[M+Na-2H]- 267.11150 157.7
[M]+ 246.13628 150.9
[M]- 246.13738 150.9
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.