CID 50301

Brn 0585026

Structural Information

Molecular Formula
C23H26N4OS
SMILES
CCN(CC)CCNC(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4OS/c1-3-26(4-2)15-14-24-23(28)21-19-16-29-20-13-9-8-12-18(20)22(19)27(25-21)17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,24,28)
InChIKey
DREYSELRKHGEFA-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18274 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19002 196.2
[M+Na]+ 429.17196 201.9
[M-H]- 405.17546 202.6
[M+NH4]+ 424.21656 208.6
[M+K]+ 445.14590 196.1
[M+H-H2O]+ 389.18000 186.6
[M+HCOO]- 451.18094 210.8
[M+CH3COO]- 465.19659 204.7
[M+Na-2H]- 427.15741 197.6
[M]+ 406.18219 199.9
[M]- 406.18329 199.9
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.