CID 64634

7,8-dnipo

Structural Information

Molecular Formula
C21H29N5O
SMILES
CCCN1C2=NC(=NC2=C3NC(CN3C1=O)CC)C45CC6CC(C4)CC5C6
InChI
InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3
InChIKey
KSNFSPWAGPTPTM-UHFFFAOYSA-N
Compound name
8-ethyl-4-propyl-2-(3-tricyclo[3.3.1.03,7]nonanyl)-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

367.2372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.24448 177.5
[M+Na]+ 390.22642 183.3
[M-H]- 366.22992 174.6
[M+NH4]+ 385.27102 198.1
[M+K]+ 406.20036 177.4
[M+H-H2O]+ 350.23446 169.4
[M+HCOO]- 412.23540 181.3
[M+CH3COO]- 426.25105 184.4
[M+Na-2H]- 388.21187 174.3
[M]+ 367.23665 181.5
[M]- 367.23775 181.5
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