CID 509249

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

Structural Information

Molecular Formula
C18H22N4S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)N)CCCCCC3=CC=CC=C3
InChI
InChI=1S/C18H22N4S/c1-12-14(23-17-15(12)16(19)21-18(20)22-17)11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H4,19,20,21,22)
InChIKey
IXCLXFOIACXCJC-UHFFFAOYSA-N
Compound name
5-methyl-6-(5-phenylpentyl)thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.15652 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16380 175.8
[M+Na]+ 349.14574 185.8
[M-H]- 325.14924 180.8
[M+NH4]+ 344.19034 190.5
[M+K]+ 365.11968 178.2
[M+H-H2O]+ 309.15378 167.4
[M+HCOO]- 371.15472 194.2
[M+CH3COO]- 385.17037 186.7
[M+Na-2H]- 347.13119 177.1
[M]+ 326.15597 179.2
[M]- 326.15707 179.2
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.