CID 60926

Ac1q6wdb

Structural Information

Molecular Formula
C22H28N6O3S
SMILES
CC(C)NC1=CC(=NC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
InChI
InChI=1S/C22H28N6O3S/c1-15(2)24-17-6-7-23-21(14-17)27-8-10-28(11-9-27)22(29)20-13-16-12-18(26-32(3,30)31)4-5-19(16)25-20/h4-7,12-15,25-26H,8-11H2,1-3H3,(H,23,24)
InChIKey
GGADUJIBSMINBQ-UHFFFAOYSA-N
Compound name
N-[2-[4-[4-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.19437 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.201646 206.0
[M+Na]+ 479.183588 211.2
[M-H]- 455.187094 210.3
[M+NH4]+ 474.228193 210.9
[M+K]+ 495.157528 204.7
[M+H-H2O]+ 439.191630 196.4
[M+HCOO]- 501.192571 214.7
[M+CH3COO]- 515.208221 232.9
[M+Na-2H]- 477.169036 207.0
[M]+ 456.19382142 205.4
[M]- 456.19491858 205.4
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.