CID 3040474

Brn 0432476

Structural Information

Molecular Formula
C20H25N3
SMILES
CN(C)CCCNCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3/c1-23(2)14-8-13-21-15-18-17-11-6-7-12-19(17)22-20(18)16-9-4-3-5-10-16/h3-7,9-12,21-22H,8,13-15H2,1-2H3
InChIKey
XPCNQEDGVXLOTB-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[(2-phenyl-1H-indol-3-yl)methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20483 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 174.2
[M+Na]+ 330.19405 180.3
[M-H]- 306.19755 180.3
[M+NH4]+ 325.23865 189.9
[M+K]+ 346.16799 174.4
[M+H-H2O]+ 290.20209 165.0
[M+HCOO]- 352.20303 198.3
[M+CH3COO]- 366.21868 185.0
[M+Na-2H]- 328.17950 178.9
[M]+ 307.20428 175.7
[M]- 307.20538 175.7
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.