CID 2834648

10-(3,4-dimethoxyphenyl)-3,4,9,10-tetrahydropyrrolo(3,4-b)(1,5)benzodiazepin-1(2h)-one

Structural Information

Molecular Formula
C19H19N3O3
SMILES
COC1=C(C=C(C=C1)C2C3=C(CNC3=O)NC4=CC=CC=C4N2)OC
InChI
InChI=1S/C19H19N3O3/c1-24-15-8-7-11(9-16(15)25-2)18-17-14(10-20-19(17)23)21-12-5-3-4-6-13(12)22-18/h3-9,18,21-22H,10H2,1-2H3,(H,20,23)
InChIKey
IMUSWTWNXRSNCJ-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.14264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 181.0
[M+Na]+ 360.13186 191.8
[M+NH4]+ 355.17646 186.5
[M+K]+ 376.10580 188.4
[M-H]- 336.13536 182.2
[M+Na-2H]- 358.11731 184.2
[M]+ 337.14209 182.7
[M]- 337.14319 182.7
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.