CID 16076981

5-(2-phenylpropyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H17N5
SMILES
CC(CC1=CNC2=NC(=NC(=C12)N)N)C3=CC=CC=C3
InChI
InChI=1S/C15H17N5/c1-9(10-5-3-2-4-6-10)7-11-8-18-14-12(11)13(16)19-15(17)20-14/h2-6,8-9H,7H2,1H3,(H5,16,17,18,19,20)
InChIKey
CMPQJIYLWQQGBO-UHFFFAOYSA-N
Compound name
5-(2-phenylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.1484 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15568 161.6
[M+Na]+ 290.13762 170.6
[M-H]- 266.14112 164.1
[M+NH4]+ 285.18222 175.4
[M+K]+ 306.11156 164.0
[M+H-H2O]+ 250.14566 152.5
[M+HCOO]- 312.14660 182.1
[M+CH3COO]- 326.16225 172.3
[M+Na-2H]- 288.12307 166.1
[M]+ 267.14785 159.2
[M]- 267.14895 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.