CID 5747167

Brn 5048863

Structural Information

Molecular Formula
C14H18N4
SMILES
C1CCC(=CC1)CCNC2=NC=NC3=C2NC=C3
InChI
InChI=1S/C14H18N4/c1-2-4-11(5-3-1)6-8-16-14-13-12(7-9-15-13)17-10-18-14/h4,7,9-10,15H,1-3,5-6,8H2,(H,16,17,18)
InChIKey
WNJHJCKCHDRDGI-UHFFFAOYSA-N
Compound name
N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15315 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.160426 153.7
[M+Na]+ 265.142368 160.3
[M-H]- 241.145874 155.5
[M+NH4]+ 260.186973 168.6
[M+K]+ 281.116308 154.5
[M+H-H2O]+ 225.150410 144.0
[M+HCOO]- 287.151351 172.8
[M+CH3COO]- 301.167001 164.2
[M+Na-2H]- 263.127816 160.6
[M]+ 242.15260142 150.4
[M]- 242.15369858 150.4
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.