CID 462974

Bdbm1967

Structural Information

Molecular Formula
C29H40N8O2
SMILES
CCNC1=C(N=CC=C1)N(CC)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)N5CCN(CC5)C
InChI
InChI=1S/C29H40N8O2/c1-4-30-25-7-6-12-31-27(25)37(5-2)23-10-13-35(14-11-23)28(38)26-20-21-19-22(8-9-24(21)33-26)32-29(39)36-17-15-34(3)16-18-36/h6-9,12,19-20,23,30,33H,4-5,10-11,13-18H2,1-3H3,(H,32,39)
InChIKey
ZICISMADASVWBX-UHFFFAOYSA-N
Compound name
N-[2-[4-[ethyl-[3-(ethylamino)pyridin-2-yl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

532.3274 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.33468 226.3
[M+Na]+ 555.31662 225.9
[M-H]- 531.32012 231.9
[M+NH4]+ 550.36122 225.6
[M+K]+ 571.29056 219.4
[M+H-H2O]+ 515.32466 212.1
[M+HCOO]- 577.32560 235.5
[M+CH3COO]- 591.34125 228.9
[M+Na-2H]- 553.30207 223.4
[M]+ 532.32685 219.9
[M]- 532.32795 219.9
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.