CID 453384

136817-51-1

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC1=C2C=C(NC2=CC=C1)C(=O)N3CCN(CC3)C4=C(C=CC=N4)NC(C)C
InChI
InChI=1S/C22H27N5O/c1-15(2)24-19-8-5-9-23-21(19)26-10-12-27(13-11-26)22(28)20-14-17-16(3)6-4-7-18(17)25-20/h4-9,14-15,24-25H,10-13H2,1-3H3
InChIKey
OZUQRRPRGYVTJY-UHFFFAOYSA-N
Compound name
(4-methyl-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.22156 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 193.5
[M+Na]+ 400.21078 199.0
[M-H]- 376.21428 197.4
[M+NH4]+ 395.25538 201.3
[M+K]+ 416.18472 191.8
[M+H-H2O]+ 360.21882 181.9
[M+HCOO]- 422.21976 206.6
[M+CH3COO]- 436.23541 200.7
[M+Na-2H]- 398.19623 193.0
[M]+ 377.22101 190.0
[M]- 377.22211 190.0
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.