CID 3045283

Brn 1034585

Structural Information

Molecular Formula
C19H24N4S
SMILES
CCC1=CC2=C(S1)NC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C
InChI
InChI=1S/C19H24N4S/c1-4-14-12-15-18(23-9-7-22(3)8-10-23)20-16-6-5-13(2)11-17(16)21-19(15)24-14/h5-6,11-12,21H,4,7-10H2,1-3H3
InChIKey
MABIPRXOTXEGCU-UHFFFAOYSA-N
Compound name
2-ethyl-8-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.17218 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17946 184.4
[M+Na]+ 363.16140 192.5
[M-H]- 339.16490 187.7
[M+NH4]+ 358.20600 196.3
[M+K]+ 379.13534 188.7
[M+H-H2O]+ 323.16944 174.9
[M+HCOO]- 385.17038 191.8
[M+CH3COO]- 399.18603 192.6
[M+Na-2H]- 361.14685 182.5
[M]+ 340.17163 181.0
[M]- 340.17273 181.0
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.