CID 135746667

Brn 1047218

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CCC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)OCC
InChI
InChI=1S/C20H24N4O2S/c1-3-14-13-15-18(23-9-11-24(12-10-23)20(25)26-4-2)21-16-7-5-6-8-17(16)22-19(15)27-14/h5-8,13,22H,3-4,9-12H2,1-2H3
InChIKey
DKVRLRBOXKLDNN-UHFFFAOYSA-N
Compound name
ethyl 4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.162 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 193.2
[M+Na]+ 407.15122 199.5
[M-H]- 383.15472 196.1
[M+NH4]+ 402.19582 202.8
[M+K]+ 423.12516 197.1
[M+H-H2O]+ 367.15926 183.4
[M+HCOO]- 429.16020 199.8
[M+CH3COO]- 443.17585 200.2
[M+Na-2H]- 405.13667 191.1
[M]+ 384.16145 191.0
[M]- 384.16255 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

literature stripe

Patent stripe

No patent data available for this compound.