CID 3042759

Phenol, 2-((diheptylamino)methyl)-

Structural Information

Molecular Formula
C21H37NO
SMILES
CCCCCCCN(CCCCCCC)CC1=CC=CC=C1O
InChI
InChI=1S/C21H37NO/c1-3-5-7-9-13-17-22(18-14-10-8-6-4-2)19-20-15-11-12-16-21(20)23/h11-12,15-16,23H,3-10,13-14,17-19H2,1-2H3
InChIKey
IEZLTGGXJTXMEN-UHFFFAOYSA-N
Compound name
2-[(diheptylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.2875 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.294776 186.6
[M+Na]+ 342.276718 188.6
[M-H]- 318.280224 188.1
[M+NH4]+ 337.321323 200.8
[M+K]+ 358.250658 184.6
[M+H-H2O]+ 302.284760 178.3
[M+HCOO]- 364.285701 207.3
[M+CH3COO]- 378.301351 216.3
[M+Na-2H]- 340.262166 186.5
[M]+ 319.28695142 191.3
[M]- 319.28804858 191.3
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.