CID 1645519

Akos002247254

Structural Information

Molecular Formula
C20H17N3OS
SMILES
CC1=C(C2=C(N=CN=C2S1)NC3=CC(=CC=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3OS/c1-13-17(14-7-4-3-5-8-14)18-19(21-12-22-20(18)25-13)23-15-9-6-10-16(11-15)24-2/h3-12H,1-2H3,(H,21,22,23)
InChIKey
UYIYHRDLHQGRNB-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.10922 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.116496 180.1
[M+Na]+ 370.098438 191.3
[M-H]- 346.101944 189.5
[M+NH4]+ 365.143043 194.1
[M+K]+ 386.072378 184.1
[M+H-H2O]+ 330.106480 170.9
[M+HCOO]- 392.107421 199.6
[M+CH3COO]- 406.123071 191.8
[M+Na-2H]- 368.083886 183.8
[M]+ 347.10867142 185.4
[M]- 347.10976858 185.4
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.