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
3
Annotation Hits

0
References

3454
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 186.0
[M+Na]+ 383.20538 187.0
[M-H]- 359.20888 189.5
[M+NH4]+ 378.24998 195.5
[M+K]+ 399.17932 184.6
[M+H-H2O]+ 343.21342 176.4
[M+HCOO]- 405.21436 207.5
[M+CH3COO]- 419.23001 225.7
[M+Na-2H]- 381.19083 185.7
[M]+ 360.21561 183.3
[M]- 360.21671 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