CID 68999

596-49-6

Structural Information

Molecular Formula
C31H43N3O
SMILES
CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)(C3=CC=C(C=C3)N(CC)CC)O
InChI
InChI=1S/C31H43N3O/c1-7-32(8-2)28-19-13-25(14-20-28)31(35,26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24,35H,7-12H2,1-6H3
InChIKey
NDGDAUFULOJWFG-UHFFFAOYSA-N
Compound name
tris[4-(diethylamino)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

473.3406 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.34788 224.8
[M+Na]+ 496.32982 225.3
[M-H]- 472.33332 235.3
[M+NH4]+ 491.37442 232.4
[M+K]+ 512.30376 222.0
[M+H-H2O]+ 456.33786 212.8
[M+HCOO]- 518.33880 245.9
[M+CH3COO]- 532.35445 256.3
[M+Na-2H]- 494.31527 223.6
[M]+ 473.34005 228.7
[M]- 473.34115 228.7
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

patents stripe