CID 15953888

N-(2-indolcarbonyl)-n'-[(3-(methylsulfonyl)amino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C19H21N5O3S
SMILES
CS(=O)(=O)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C19H21N5O3S/c1-28(26,27)22-16-7-4-8-20-18(16)23-9-11-24(12-10-23)19(25)17-13-14-5-2-3-6-15(14)21-17/h2-8,13,21-22H,9-12H2,1H3
InChIKey
JMMBISRWMVKQGV-UHFFFAOYSA-N
Compound name
N-[2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]pyridin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14378 192.1
[M+Na]+ 422.12572 199.3
[M-H]- 398.12922 196.5
[M+NH4]+ 417.17032 199.6
[M+K]+ 438.09966 192.6
[M+H-H2O]+ 382.13376 182.7
[M+HCOO]- 444.13470 201.8
[M+CH3COO]- 458.15035 199.8
[M+Na-2H]- 420.11117 194.5
[M]+ 399.13595 191.2
[M]- 399.13705 191.2
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.