CID 3000181

7-benzyl-5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C15H16N4
SMILES
CC1=C(N(C2=NC=NC(=C12)N)CC3=CC=CC=C3)C
InChI
InChI=1S/C15H16N4/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKey
WVJFFHQKDQYWCI-UHFFFAOYSA-N
Compound name
7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

252.1375 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14478 159.1
[M+Na]+ 275.12672 170.7
[M-H]- 251.13022 163.6
[M+NH4]+ 270.17132 175.2
[M+K]+ 291.10066 164.5
[M+H-H2O]+ 235.13476 149.9
[M+HCOO]- 297.13570 181.5
[M+CH3COO]- 311.15135 171.6
[M+Na-2H]- 273.11217 164.4
[M]+ 252.13695 161.0
[M]- 252.13805 161.0
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.