CID 5748922

Brn 5571741

Structural Information

Molecular Formula
C14H17ClN4
SMILES
C1CCC(=CC1)CCNC2=NC(=NC3=C2NC=C3)Cl
InChI
InChI=1S/C14H17ClN4/c15-14-18-11-7-9-16-12(11)13(19-14)17-8-6-10-4-2-1-3-5-10/h4,7,9,16H,1-3,5-6,8H2,(H,17,18,19)
InChIKey
HWKUUNFBRUEKJZ-UHFFFAOYSA-N
Compound name
2-chloro-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

276.11417 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12145 161.6
[M+Na]+ 299.10339 169.8
[M-H]- 275.10689 163.3
[M+NH4]+ 294.14799 176.2
[M+K]+ 315.07733 162.4
[M+H-H2O]+ 259.11143 152.2
[M+HCOO]- 321.11237 175.9
[M+CH3COO]- 335.12802 171.9
[M+Na-2H]- 297.08884 167.0
[M]+ 276.11362 160.6
[M]- 276.11472 160.6
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.