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
4
Annotation Hits

0
References

4515
Patents

360.21616 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.223436 186.0
[M+Na]+ 383.205378 187.0
[M-H]- 359.208884 189.5
[M+NH4]+ 378.249983 195.5
[M+K]+ 399.179318 184.6
[M+H-H2O]+ 343.213420 176.4
[M+HCOO]- 405.214361 207.5
[M+CH3COO]- 419.230011 225.7
[M+Na-2H]- 381.190826 185.7
[M]+ 360.21561142 183.3
[M]- 360.21670858 183.3
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

patents stripe