CID 29870

19947-09-2

Structural Information

Molecular Formula
C25H38N2
SMILES
CN(C)CCCC(CCCN(C)C)C1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C25H38N2/c1-26(2)20-10-15-23(16-11-21-27(3)4)25-17-9-8-14-24(25)19-18-22-12-6-5-7-13-22/h5-9,12-14,17,23H,10-11,15-16,18-21H2,1-4H3
InChIKey
NEAGLEJNAXOULV-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetramethyl-4-[2-(2-phenylethyl)phenyl]heptane-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.3035 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.310776 199.2
[M+Na]+ 389.292718 200.1
[M-H]- 365.296224 206.4
[M+NH4]+ 384.337323 211.8
[M+K]+ 405.266658 196.8
[M+H-H2O]+ 349.300760 188.7
[M+HCOO]- 411.301701 221.7
[M+CH3COO]- 425.317351 233.4
[M+Na-2H]- 387.278166 198.4
[M]+ 366.30295142 202.9
[M]- 366.30404858 202.9
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.