CID 214798

Ro 32

Structural Information

Molecular Formula
C14H23N3O3
SMILES
CN(C)CCNCC(COC1=CC=CC=C1C(=O)N)O
InChI
InChI=1S/C14H23N3O3/c1-17(2)8-7-16-9-11(18)10-20-13-6-4-3-5-12(13)14(15)19/h3-6,11,16,18H,7-10H2,1-2H3,(H2,15,19)
InChIKey
PKNBTOHMVPGHQQ-UHFFFAOYSA-N
Compound name
2-[3-[2-(dimethylamino)ethylamino]-2-hydroxypropoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17395 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18123 167.6
[M+Na]+ 304.16317 170.3
[M-H]- 280.16667 170.0
[M+NH4]+ 299.20777 181.9
[M+K]+ 320.13711 169.6
[M+H-H2O]+ 264.17121 159.5
[M+HCOO]- 326.17215 190.7
[M+CH3COO]- 340.18780 210.1
[M+Na-2H]- 302.14862 168.5
[M]+ 281.17340 168.0
[M]- 281.17450 168.0
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

No patent data available for this compound.