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]+ 320.29478 186.6
[M+Na]+ 342.27672 188.6
[M-H]- 318.28022 188.1
[M+NH4]+ 337.32132 200.8
[M+K]+ 358.25066 184.6
[M+H-H2O]+ 302.28476 178.3
[M+HCOO]- 364.28570 207.3
[M+CH3COO]- 378.30135 216.3
[M+Na-2H]- 340.26217 186.5
[M]+ 319.28695 191.3
[M]- 319.28805 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.