CID 135566433

2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C21H22N6O
SMILES
CCN1C(=CC=N1)C2=CNC3=C2C=C(C=N3)C4=CC(=C(C=C4)N)C(=O)N(C)C
InChI
InChI=1S/C21H22N6O/c1-4-27-19(7-8-25-27)17-12-24-20-15(17)10-14(11-23-20)13-5-6-18(22)16(9-13)21(28)26(2)3/h5-12H,4,22H2,1-3H3,(H,23,24)
InChIKey
INAGORZAOFUKOZ-UHFFFAOYSA-N
Compound name
2-amino-5-[3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

374.18552 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19280 190.3
[M+Na]+ 397.17474 199.3
[M-H]- 373.17824 197.6
[M+NH4]+ 392.21934 200.9
[M+K]+ 413.14868 193.1
[M+H-H2O]+ 357.18278 179.8
[M+HCOO]- 419.18372 210.9
[M+CH3COO]- 433.19937 200.1
[M+Na-2H]- 395.16019 190.0
[M]+ 374.18497 192.5
[M]- 374.18607 192.5
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

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