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]+ 308.212106 174.2
[M+Na]+ 330.194048 180.3
[M-H]- 306.197554 180.3
[M+NH4]+ 325.238653 189.9
[M+K]+ 346.167988 174.4
[M+H-H2O]+ 290.202090 165.0
[M+HCOO]- 352.203031 198.3
[M+CH3COO]- 366.218681 185.0
[M+Na-2H]- 328.179496 178.9
[M]+ 307.20428142 175.7
[M]- 307.20537858 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.