CID 489473

959382-25-3

Structural Information

Molecular Formula
C21H27N5O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC4=C3NCC4
InChI
InChI=1S/C21H27N5O/c1-15(2)24-18-7-4-9-23-20(18)25-11-13-26(14-12-25)21(27)17-6-3-5-16-8-10-22-19(16)17/h3-7,9,15,22,24H,8,10-14H2,1-2H3
InChIKey
DQXXDAVRUMNJHK-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-7-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

365.22156 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22884 189.8
[M+Na]+ 388.21078 192.7
[M-H]- 364.21428 192.6
[M+NH4]+ 383.25538 197.6
[M+K]+ 404.18472 186.2
[M+H-H2O]+ 348.21882 177.9
[M+HCOO]- 410.21976 200.4
[M+CH3COO]- 424.23541 196.0
[M+Na-2H]- 386.19623 188.6
[M]+ 365.22101 182.7
[M]- 365.22211 182.7
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.