CID 13490974

4-(3-dimethylaminopropylthio)-2-(4-methylphenyl)-5h(1)benzopyrano(2,3-d)pyrimidine

Structural Information

Molecular Formula
C23H25N3OS
SMILES
CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCCCN(C)C
InChI
InChI=1S/C23H25N3OS/c1-16-9-11-17(12-10-16)21-24-22-19(15-18-7-4-5-8-20(18)27-22)23(25-21)28-14-6-13-26(2)3/h4-5,7-12H,6,13-15H2,1-3H3
InChIKey
ISPBQSUEQIRJAG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[[2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

391.17184 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17912 193.9
[M+Na]+ 414.16106 210.4
[M+NH4]+ 409.20566 203.2
[M+K]+ 430.13500 198.5
[M-H]- 390.16456 201.9
[M+Na-2H]- 412.14651 201.8
[M]+ 391.17129 199.4
[M]- 391.17239 199.4
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

patents stripe