CID 50304

Brn 0588101

Structural Information

Molecular Formula
C24H26N4OS
SMILES
CCN1CCCC1CNC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C24H26N4OS/c1-2-27-14-8-11-18(27)15-25-24(29)22-20-16-30-21-13-7-6-12-19(21)23(20)28(26-22)17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,25,29)
InChIKey
QXFXLKUYIMNTSW-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18274 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19002 199.2
[M+Na]+ 441.17196 205.7
[M-H]- 417.17546 206.7
[M+NH4]+ 436.21656 211.3
[M+K]+ 457.14590 198.8
[M+H-H2O]+ 401.18000 190.1
[M+HCOO]- 463.18094 210.5
[M+CH3COO]- 477.19659 207.3
[M+Na-2H]- 439.15741 196.3
[M]+ 418.18219 199.6
[M]- 418.18329 199.6
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.