CID 5935712

477735-27-6

Structural Information

Molecular Formula
C23H29N5O3S2
SMILES
CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NCCCN4CCOCC4)/SC1=S
InChI
InChI=1S/C23H29N5O3S2/c1-3-8-28-22(30)18(33-23(28)32)15-17-19(24-7-5-9-26-11-13-31-14-12-26)25-20-16(2)6-4-10-27(20)21(17)29/h4,6,10,15,24H,3,5,7-9,11-14H2,1-2H3/b18-15-
InChIKey
JNNNAKJSALXHHV-SDXDJHTJSA-N
Compound name
(5Z)-5-[[9-methyl-2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.17117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.17845 215.4
[M+Na]+ 510.16039 222.5
[M-H]- 486.16389 220.1
[M+NH4]+ 505.20499 220.0
[M+K]+ 526.13433 214.4
[M+H-H2O]+ 470.16843 206.6
[M+HCOO]- 532.16937 218.2
[M+CH3COO]- 546.18502 221.1
[M+Na-2H]- 508.14584 209.9
[M]+ 487.17062 217.0
[M]- 487.17172 217.0
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.