CID 59915543

225795-35-7

Structural Information

Molecular Formula
C24H48N6O
SMILES
CN(C)CCCNCC1=CC(=C(C(=C1)CNCCCN(C)C)O)CNCCCN(C)C
InChI
InChI=1S/C24H48N6O/c1-28(2)13-7-10-25-18-21-16-22(19-26-11-8-14-29(3)4)24(31)23(17-21)20-27-12-9-15-30(5)6/h16-17,25-27,31H,7-15,18-20H2,1-6H3
InChIKey
UBDPGWZWCACARC-UHFFFAOYSA-N
Compound name
2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

436.38895 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.39623 217.0
[M+Na]+ 459.37817 215.4
[M-H]- 435.38167 221.3
[M+NH4]+ 454.42277 226.2
[M+K]+ 475.35211 214.7
[M+H-H2O]+ 419.38621 205.8
[M+HCOO]- 481.38715 242.4
[M+CH3COO]- 495.40280 259.6
[M+Na-2H]- 457.36362 214.5
[M]+ 436.38840 221.9
[M]- 436.38950 221.9
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

patents stripe