CID 3069427

84671-34-1

Structural Information

Molecular Formula
C20H19N3O2S
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CSC=C3)CNC(=O)C4=COC=C4
InChI
InChI=1S/C20H19N3O2S/c1-23-16(11-22-20(24)14-6-8-25-12-14)10-21-19(15-7-9-26-13-15)17-4-2-3-5-18(17)23/h2-9,12-13,16H,10-11H2,1H3,(H,22,24)
InChIKey
QCWHFTMAJZFBBR-UHFFFAOYSA-N
Compound name
N-[(1-methyl-5-thiophen-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.1198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12708 189.3
[M+Na]+ 388.10902 197.0
[M-H]- 364.11252 200.3
[M+NH4]+ 383.15362 201.9
[M+K]+ 404.08296 196.6
[M+H-H2O]+ 348.11706 181.5
[M+HCOO]- 410.11800 206.3
[M+CH3COO]- 424.13365 199.6
[M+Na-2H]- 386.09447 188.3
[M]+ 365.11925 191.0
[M]- 365.12035 191.0
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

patents stripe