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]+ 367.31078 199.2
[M+Na]+ 389.29272 200.1
[M-H]- 365.29622 206.4
[M+NH4]+ 384.33732 211.8
[M+K]+ 405.26666 196.8
[M+H-H2O]+ 349.30076 188.7
[M+HCOO]- 411.30170 221.7
[M+CH3COO]- 425.31735 233.4
[M+Na-2H]- 387.27817 198.4
[M]+ 366.30295 202.9
[M]- 366.30405 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.