CID 11682007

446257-23-4

Structural Information

Molecular Formula
C19H28N4OS
SMILES
C1CCCC(CC1)NC2=C3C=C(SC3=NC=N2)CNC[C@H]4CCCO4
InChI
InChI=1S/C19H28N4OS/c1-2-4-7-14(6-3-1)23-18-17-10-16(25-19(17)22-13-21-18)12-20-11-15-8-5-9-24-15/h10,13-15,20H,1-9,11-12H2,(H,21,22,23)/t15-/m1/s1
InChIKey
SASNRPJKZVJWQW-OAHLLOKOSA-N
Compound name
N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

360.1984 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20568 185.4
[M+Na]+ 383.18762 188.1
[M-H]- 359.19112 194.1
[M+NH4]+ 378.23222 197.4
[M+K]+ 399.16156 187.5
[M+H-H2O]+ 343.19566 176.2
[M+HCOO]- 405.19660 198.9
[M+CH3COO]- 419.21225 193.5
[M+Na-2H]- 381.17307 184.0
[M]+ 360.19785 180.6
[M]- 360.19895 180.6
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

patents stripe