CID 5735112

433326-61-5

Structural Information

Molecular Formula
C23H26N6O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(C)C)NCCCN4C=CN=C4
InChI
InChI=1S/C23H26N6O2S2/c1-15(2)13-29-22(31)18(33-23(29)32)12-17-19(25-7-5-9-27-11-8-24-14-27)26-20-16(3)6-4-10-28(20)21(17)30/h4,6,8,10-12,14-15,25H,5,7,9,13H2,1-3H3/b18-12-
InChIKey
LRFVFUFOTZNCFP-PDGQHHTCSA-N
Compound name
(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.15585 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.16313 214.9
[M+Na]+ 505.14507 226.0
[M-H]- 481.14857 220.7
[M+NH4]+ 500.18967 222.3
[M+K]+ 521.11901 216.7
[M+H-H2O]+ 465.15311 207.4
[M+HCOO]- 527.15405 222.6
[M+CH3COO]- 541.16970 222.5
[M+Na-2H]- 503.13052 208.5
[M]+ 482.15530 221.4
[M]- 482.15640 221.4
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.