CID 2809036

Oprea1_831618

Structural Information

Molecular Formula
C24H24N4S
SMILES
C1CN(CCC1NC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C24H24N4S/c1-3-7-18(8-4-1)16-28-13-11-20(12-14-28)27-24-23-21(25-17-26-24)15-22(29-23)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,25,26,27)
InChIKey
BVWZXNUIZVYPCJ-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

400.17218 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.179456 192.2
[M+Na]+ 423.161398 199.3
[M-H]- 399.164904 201.3
[M+NH4]+ 418.206003 201.5
[M+K]+ 439.135338 190.4
[M+H-H2O]+ 383.169440 180.8
[M+HCOO]- 445.170381 206.0
[M+CH3COO]- 459.186031 200.6
[M+Na-2H]- 421.146846 194.2
[M]+ 400.17163142 190.7
[M]- 400.17272858 190.7
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

patents stripe