CID 9885240

128729-28-2

Structural Information

Molecular Formula
C19H28N4O3
SMILES
C1=CC(=CC=C1N)N(CCO)CC(CN(CCO)C2=CC=C(C=C2)N)O
InChI
InChI=1S/C19H28N4O3/c20-15-1-5-17(6-2-15)22(9-11-24)13-19(26)14-23(10-12-25)18-7-3-16(21)4-8-18/h1-8,19,24-26H,9-14,20-21H2
InChIKey
VIXBPSTZNCRCJE-UHFFFAOYSA-N
Compound name
1,3-bis[4-amino-N-(2-hydroxyethyl)anilino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3435
Patents

360.21616 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22344 189.3
[M+Na]+ 383.20538 196.0
[M+NH4]+ 378.24998 194.0
[M+K]+ 399.17932 191.9
[M-H]- 359.20888 193.1
[M+Na-2H]- 381.19083 193.7
[M]+ 360.21561 190.7
[M]- 360.21671 190.7
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