CID 5748925

Brn 5565075

Structural Information

Molecular Formula
C14H19ClN4
SMILES
C1CCC(CC1)CCNC2=NC(=NC3=C2NC=C3)Cl
InChI
InChI=1S/C14H19ClN4/c15-14-18-11-7-9-16-12(11)13(19-14)17-8-6-10-4-2-1-3-5-10/h7,9-10,16H,1-6,8H2,(H,17,18,19)
InChIKey
ARLXCRCXELWQPE-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyclohexylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13710 163.1
[M+Na]+ 301.11904 170.2
[M-H]- 277.12254 164.4
[M+NH4]+ 296.16364 177.5
[M+K]+ 317.09298 163.1
[M+H-H2O]+ 261.12708 153.6
[M+HCOO]- 323.12802 175.9
[M+CH3COO]- 337.14367 172.8
[M+Na-2H]- 299.10449 167.4
[M]+ 278.12927 160.6
[M]- 278.13037 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.