CID 1582344

442552-53-6

Structural Information

Molecular Formula
C24H30N4O2S2
SMILES
CCCCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C)/SC1=S
InChI
InChI=1S/C24H30N4O2S2/c1-4-5-6-11-28-23(30)19(32-24(28)31)15-18-21(26-13-9-16(2)10-14-26)25-20-17(3)8-7-12-27(20)22(18)29/h7-8,12,15-16H,4-6,9-11,13-14H2,1-3H3/b19-15-
InChIKey
QRBHDTGTRYDQSO-CYVLTUHYSA-N
Compound name
(5Z)-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.18103 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18831 213.7
[M+Na]+ 493.17025 222.0
[M-H]- 469.17375 218.0
[M+NH4]+ 488.21485 220.9
[M+K]+ 509.14419 212.4
[M+H-H2O]+ 453.17829 205.1
[M+HCOO]- 515.17923 215.5
[M+CH3COO]- 529.19488 219.8
[M+Na-2H]- 491.15570 205.3
[M]+ 470.18048 214.9
[M]- 470.18158 214.9
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.