CID 489449

1-[5-(2'-aminoacetamido)indolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C23H29N7O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)CN
InChI
InChI=1S/C23H29N7O2/c1-15(2)26-19-4-3-7-25-22(19)29-8-10-30(11-9-29)23(32)20-13-16-12-17(27-21(31)14-24)5-6-18(16)28-20/h3-7,12-13,15,26,28H,8-11,14,24H2,1-2H3,(H,27,31)
InChIKey
FECVYXQCNPRADU-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.23828 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.24556 202.6
[M+Na]+ 458.22750 205.5
[M-H]- 434.23100 206.3
[M+NH4]+ 453.27210 207.0
[M+K]+ 474.20144 199.4
[M+H-H2O]+ 418.23554 191.0
[M+HCOO]- 480.23648 216.4
[M+CH3COO]- 494.25213 208.1
[M+Na-2H]- 456.21295 202.3
[M]+ 435.23773 197.6
[M]- 435.23883 197.6
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.