CID 16727457

N,n'-bis[1-(benzyloxymethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C24H36N2O2
SMILES
CCC(COCC1=CC=CC=C1)NCCNC(CC)COCC2=CC=CC=C2
InChI
InChI=1S/C24H36N2O2/c1-3-23(19-27-17-21-11-7-5-8-12-21)25-15-16-26-24(4-2)20-28-18-22-13-9-6-10-14-22/h5-14,23-26H,3-4,15-20H2,1-2H3
InChIKey
ACZPHKXVHUAWOU-UHFFFAOYSA-N
Compound name
N,N'-bis(1-phenylmethoxybutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.27768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28496 199.1
[M+Na]+ 407.26690 198.6
[M-H]- 383.27040 203.2
[M+NH4]+ 402.31150 209.1
[M+K]+ 423.24084 194.5
[M+H-H2O]+ 367.27494 188.6
[M+HCOO]- 429.27588 220.4
[M+CH3COO]- 443.29153 227.3
[M+Na-2H]- 405.25235 200.1
[M]+ 384.27713 201.6
[M]- 384.27823 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.