CID 129626604

Chk1 inhibitor

Structural Information

Molecular Formula
C17H21BrN4O
SMILES
C1C[C@H](CN(C1)C2=C(C=CC3=C2C(=CN3)NC(=O)C4CC4)Br)N
InChI
InChI=1S/C17H21BrN4O/c18-12-5-6-13-15(16(12)22-7-1-2-11(19)9-22)14(8-20-13)21-17(23)10-3-4-10/h5-6,8,10-11,20H,1-4,7,9,19H2,(H,21,23)/t11-/m1/s1
InChIKey
HZEPWUQMONRPSF-LLVKDONJSA-N
Compound name
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-indol-3-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09715 179.6
[M+Na]+ 399.07909 190.1
[M-H]- 375.08259 188.3
[M+NH4]+ 394.12369 189.9
[M+K]+ 415.05303 175.1
[M+H-H2O]+ 359.08713 177.4
[M+HCOO]- 421.08807 195.8
[M+CH3COO]- 435.10372 190.1
[M+Na-2H]- 397.06454 181.5
[M]+ 376.08932 194.3
[M]- 376.09042 194.3
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.