CID 16727467

N2-[2-[1-(anilinomethyl)propylamino]ethyl]-n1-phenyl-butane-1,2-diamine

Structural Information

Molecular Formula
C22H34N4
SMILES
CCC(CNC1=CC=CC=C1)NCCNC(CC)CNC2=CC=CC=C2
InChI
InChI=1S/C22H34N4/c1-3-19(17-25-21-11-7-5-8-12-21)23-15-16-24-20(4-2)18-26-22-13-9-6-10-14-22/h5-14,19-20,23-26H,3-4,15-18H2,1-2H3
InChIKey
RVNPMMQHIMNLOZ-UHFFFAOYSA-N
Compound name
2-N-[2-(1-anilinobutan-2-ylamino)ethyl]-1-N-phenylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.27835 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28563 188.0
[M+Na]+ 377.26757 186.9
[M-H]- 353.27107 192.4
[M+NH4]+ 372.31217 198.7
[M+K]+ 393.24151 182.4
[M+H-H2O]+ 337.27561 177.6
[M+HCOO]- 399.27655 211.6
[M+CH3COO]- 413.29220 227.7
[M+Na-2H]- 375.25302 191.3
[M]+ 354.27780 185.8
[M]- 354.27890 185.8
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.