CID 156869388

Rp-6306

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CC1=C(C(=C(C=C1)O)C)N2C(=C(C3=C2N=C(C(=C3)C)C)C(=O)N)N
InChI
InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)
InChIKey
ARBRHWRTXPWZGN-UHFFFAOYSA-N
Compound name
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

33
Patents

324.15863 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 180.0
[M+Na]+ 347.14785 191.9
[M-H]- 323.15135 185.4
[M+NH4]+ 342.19245 194.0
[M+K]+ 363.12179 186.0
[M+H-H2O]+ 307.15589 172.2
[M+HCOO]- 369.15683 201.0
[M+CH3COO]- 383.17248 217.6
[M+Na-2H]- 345.13330 178.9
[M]+ 324.15808 182.2
[M]- 324.15918 182.2
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

patents stripe