CID 509250

5-methyl-6-(2-naphthalen-1-yl-ethyl)-thieno[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H18N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)CCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H18N4S/c1-11-15(24-18-16(11)17(20)22-19(21)23-18)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3,(H4,20,21,22,23)
InChIKey
UKRRRFTYOYQLEU-UHFFFAOYSA-N
Compound name
5-methyl-6-(2-naphthalen-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.1252 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13248 176.4
[M+Na]+ 357.11442 188.2
[M-H]- 333.11792 182.8
[M+NH4]+ 352.15902 191.8
[M+K]+ 373.08836 180.0
[M+H-H2O]+ 317.12246 168.4
[M+HCOO]- 379.12340 194.2
[M+CH3COO]- 393.13905 187.8
[M+Na-2H]- 355.09987 179.7
[M]+ 334.12465 179.6
[M]- 334.12575 179.6
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.