CID 5495832

Schembl6436416

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CC(C)C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CNC4=C3C=CC=N4
InChI
InChI=1S/C22H24N4O2/c1-15(2)19-14-25(11-12-26(19)21(27)16-7-4-3-5-8-16)22(28)18-13-24-20-17(18)9-6-10-23-20/h3-10,13,15,19H,11-12,14H2,1-2H3,(H,23,24)
InChIKey
QPYGKWDHLURMIH-UHFFFAOYSA-N
Compound name
phenyl-[2-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

376.1899 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 191.9
[M+Na]+ 399.17912 197.1
[M-H]- 375.18262 195.5
[M+NH4]+ 394.22372 199.5
[M+K]+ 415.15306 190.6
[M+H-H2O]+ 359.18716 180.4
[M+HCOO]- 421.18810 203.2
[M+CH3COO]- 435.20375 199.0
[M+Na-2H]- 397.16457 190.3
[M]+ 376.18935 188.5
[M]- 376.19045 188.5
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

patents stripe