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]+ 247.144106 155.2
[M+Na]+ 269.126048 162.5
[M-H]- 245.129554 158.1
[M+NH4]+ 264.170653 172.5
[M+K]+ 285.099988 161.4
[M+H-H2O]+ 229.134090 148.5
[M+HCOO]- 291.135031 170.4
[M+CH3COO]- 305.150681 166.0
[M+Na-2H]- 267.111496 157.7
[M]+ 246.13628142 150.9
[M]- 246.13737858 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.