CID 15953890

N-(2-indolcarbonyl)-n'-[(3-isopropylamino)-2-pyridinyl]-1,2-diaminoethane

Structural Information

Molecular Formula
C19H23N5O
SMILES
CC(C)NC1=C(N=CC=C1)NCCNC(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C19H23N5O/c1-13(2)23-16-8-5-9-20-18(16)21-10-11-22-19(25)17-12-14-6-3-4-7-15(14)24-17/h3-9,12-13,23-24H,10-11H2,1-2H3,(H,20,21)(H,22,25)
InChIKey
ZTLPPDSODDWWDK-UHFFFAOYSA-N
Compound name
N-[2-[[3-(propan-2-ylamino)pyridin-2-yl]amino]ethyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.19025 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 178.2
[M+Na]+ 360.17947 183.2
[M-H]- 336.18297 182.1
[M+NH4]+ 355.22407 190.0
[M+K]+ 376.15341 177.5
[M+H-H2O]+ 320.18751 168.4
[M+HCOO]- 382.18845 200.3
[M+CH3COO]- 396.20410 216.9
[M+Na-2H]- 358.16492 183.1
[M]+ 337.18970 177.5
[M]- 337.19080 177.5
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.