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]+ 243.16043 153.7
[M+Na]+ 265.14237 160.3
[M-H]- 241.14587 155.5
[M+NH4]+ 260.18697 168.6
[M+K]+ 281.11631 154.5
[M+H-H2O]+ 225.15041 144.0
[M+HCOO]- 287.15135 172.8
[M+CH3COO]- 301.16700 164.2
[M+Na-2H]- 263.12782 160.6
[M]+ 242.15260 150.4
[M]- 242.15370 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.