CID 3071488

5,6-dihydro-6-(3,4-dimethoxyphenyl)-3-methyl-4h-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
CC1=CSC2=C1CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C19H20N2O2S/c1-12-11-24-19-14(12)10-20-18(15-5-4-8-21(15)19)13-6-7-16(22-2)17(9-13)23-3/h4-9,11,18,20H,10H2,1-3H3
InChIKey
JQMJMGSGQWTBDW-UHFFFAOYSA-N
Compound name
9-(3,4-dimethoxyphenyl)-5-methyl-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.12454 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 180.3
[M+Na]+ 363.11376 192.1
[M+NH4]+ 358.15836 188.2
[M+K]+ 379.08770 187.4
[M-H]- 339.11726 183.6
[M+Na-2H]- 361.09921 184.9
[M]+ 340.12399 183.5
[M]- 340.12509 183.5
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

No patent data available for this compound.