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 158.2
[M+Na]+ 275.12672 174.1
[M+NH4]+ 270.17132 166.5
[M+K]+ 291.10066 167.9
[M-H]- 251.13022 162.5
[M+Na-2H]- 273.11217 166.9
[M]+ 252.13695 161.7
[M]- 252.13805 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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