CID 489471

1-(indolyl-2-carbonyl)-4-(n-methyl-n-(3-(1-methylethylamino)-2-pyridinyl)amino)piperazine

Structural Information

Molecular Formula
C22H28N6O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H28N6O/c1-16(2)24-19-9-6-10-23-21(19)26(3)28-13-11-27(12-14-28)22(29)20-15-17-7-4-5-8-18(17)25-20/h4-10,15-16,24-25H,11-14H2,1-3H3
InChIKey
SEUGITCGOCCBHR-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.23245 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.23973 194.1
[M+Na]+ 415.22167 197.8
[M-H]- 391.22517 199.1
[M+NH4]+ 410.26627 201.2
[M+K]+ 431.19561 192.1
[M+H-H2O]+ 375.22971 181.9
[M+HCOO]- 437.23065 208.8
[M+CH3COO]- 451.24630 201.0
[M+Na-2H]- 413.20712 194.9
[M]+ 392.23190 190.8
[M]- 392.23300 190.8
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.