CID 5311055

157286-86-7

Structural Information

Molecular Formula
C23H32N4
SMILES
CCCCN(CC)C1=NC(=NC2=C1C(=CN2C3=C(C=C(C=C3C)C)C)C)C
InChI
InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
InChIKey
FHQYJZCJRZHINA-UHFFFAOYSA-N
Compound name
N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

147
References

68
Patents

364.2627 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.26998 195.2
[M+Na]+ 387.25192 210.9
[M+NH4]+ 382.29652 202.5
[M+K]+ 403.22586 203.6
[M-H]- 363.25542 199.9
[M+Na-2H]- 385.23737 201.6
[M]+ 364.26215 199.0
[M]- 364.26325 199.0
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

patents stripe