CID 15953895

N,n'-dimethyl-n-(2-indolcarbonyl)-n'-[(3-isopropylamino)-2-pyridinyl]-1,4-diaminocyclohexane

Structural Information

Molecular Formula
C25H33N5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)C2CCC(CC2)N(C)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C25H33N5O/c1-17(2)27-22-10-7-15-26-24(22)29(3)19-11-13-20(14-12-19)30(4)25(31)23-16-18-8-5-6-9-21(18)28-23/h5-10,15-17,19-20,27-28H,11-14H2,1-4H3
InChIKey
OZDQWWHLIFGPIQ-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]cyclohexyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.26852 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.27580 201.9
[M+Na]+ 442.25774 203.3
[M-H]- 418.26124 210.2
[M+NH4]+ 437.30234 210.9
[M+K]+ 458.23168 199.3
[M+H-H2O]+ 402.26578 190.4
[M+HCOO]- 464.26672 219.7
[M+CH3COO]- 478.28237 239.2
[M+Na-2H]- 440.24319 201.0
[M]+ 419.26797 199.2
[M]- 419.26907 199.2
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.