CID 509253

5-methyl-6-[3-(2-naphthyl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C20H20N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)CCCC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C20H20N4S/c1-12-16(25-19-17(12)18(21)23-20(22)24-19)8-4-5-13-9-10-14-6-2-3-7-15(14)11-13/h2-3,6-7,9-11H,4-5,8H2,1H3,(H4,21,22,23,24)
InChIKey
KOLWOJZYTFSHMJ-UHFFFAOYSA-N
Compound name
5-methyl-6-(3-naphthalen-2-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.14087 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14815 180.7
[M+Na]+ 371.13009 192.0
[M-H]- 347.13359 186.8
[M+NH4]+ 366.17469 195.5
[M+K]+ 387.10403 183.6
[M+H-H2O]+ 331.13813 172.4
[M+HCOO]- 393.13907 198.1
[M+CH3COO]- 407.15472 191.6
[M+Na-2H]- 369.11554 183.5
[M]+ 348.14032 184.1
[M]- 348.14142 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.