CID 135430158

V-11294a

Structural Information

Molecular Formula
C23H31N5O2
SMILES
CCN=C1C2=C(N=C(N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4
InChI
InChI=1S/C23H31N5O2/c1-5-24-22-20-23(27-21(26-20)15(2)3)28(14-25-22)13-16-10-11-18(29-4)19(12-16)30-17-8-6-7-9-17/h10-12,14-15,17H,5-9,13H2,1-4H3,(H,26,27)
InChIKey
KLPQJJKXRIDASJ-UHFFFAOYSA-N
Compound name
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-8-propan-2-yl-7H-purin-6-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1026
Patents

409.24777 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.25505 200.9
[M+Na]+ 432.23699 208.0
[M-H]- 408.24049 207.1
[M+NH4]+ 427.28159 210.5
[M+K]+ 448.21093 202.0
[M+H-H2O]+ 392.24503 189.6
[M+HCOO]- 454.24597 218.6
[M+CH3COO]- 468.26162 209.4
[M+Na-2H]- 430.22244 198.6
[M]+ 409.24722 204.2
[M]- 409.24832 204.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.