CID 15953891

2,2,n,n'-tetra-methyl-n-(2-indolcarbonyl)-n'-[(3-isopropylamino)-2-pyridinyl]-1,3-diaminopropane

Structural Information

Molecular Formula
C24H33N5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)CC(C)(C)CN(C)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C24H33N5O/c1-17(2)26-20-12-9-13-25-22(20)28(5)15-24(3,4)16-29(6)23(30)21-14-18-10-7-8-11-19(18)27-21/h7-14,17,26-27H,15-16H2,1-6H3
InChIKey
PSHJPHLLWTTXBA-UHFFFAOYSA-N
Compound name
N-[2,2-dimethyl-3-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]propyl]-N-methyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.26852 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27580 202.7
[M+Na]+ 430.25774 205.9
[M-H]- 406.26124 208.9
[M+NH4]+ 425.30234 213.0
[M+K]+ 446.23168 202.7
[M+H-H2O]+ 390.26578 192.6
[M+HCOO]- 452.26672 222.4
[M+CH3COO]- 466.28237 238.3
[M+Na-2H]- 428.24319 204.5
[M]+ 407.26797 205.6
[M]- 407.26907 205.6
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.