CID 17592172

929862-10-2

Structural Information

Molecular Formula
C21H28N6O
SMILES
CC1=C(N(C2=NC=NC(=C12)NCCCN3CCOCC3)CC4=CC=NC=C4)C
InChI
InChI=1S/C21H28N6O/c1-16-17(2)27(14-18-4-7-22-8-5-18)21-19(16)20(24-15-25-21)23-6-3-9-26-10-12-28-13-11-26/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,23,24,25)
InChIKey
LPWMENPZPLQMLZ-UHFFFAOYSA-N
Compound name
5,6-dimethyl-N-(3-morpholin-4-ylpropyl)-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.23245 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23973 195.9
[M+Na]+ 403.22167 202.8
[M-H]- 379.22517 200.0
[M+NH4]+ 398.26627 201.7
[M+K]+ 419.19561 196.4
[M+H-H2O]+ 363.22971 182.6
[M+HCOO]- 425.23065 210.1
[M+CH3COO]- 439.24630 203.4
[M+Na-2H]- 401.20712 198.1
[M]+ 380.23190 196.6
[M]- 380.23300 196.6
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.