CID 3050883

Brn 0435719

Structural Information

Molecular Formula
C22H29N3
SMILES
CCN(CC)CCNC1=NCC(C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3/c1-3-25(4-2)16-15-23-22-21(19-13-9-6-10-14-19)20(17-24-22)18-11-7-5-8-12-18/h5-14,20-21H,3-4,15-17H2,1-2H3,(H,23,24)
InChIKey
DECPJPZPKMAHBE-UHFFFAOYSA-N
Compound name
N-(3,4-diphenyl-3,4-dihydro-2H-pyrrol-5-yl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.23615 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.24343 183.9
[M+Na]+ 358.22537 187.4
[M-H]- 334.22887 192.7
[M+NH4]+ 353.26997 197.6
[M+K]+ 374.19931 182.4
[M+H-H2O]+ 318.23341 173.2
[M+HCOO]- 380.23435 207.5
[M+CH3COO]- 394.25000 219.3
[M+Na-2H]- 356.21082 185.3
[M]+ 335.23560 183.5
[M]- 335.23670 183.5
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.