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]+ 282.181226 167.6
[M+Na]+ 304.163168 170.3
[M-H]- 280.166674 170.0
[M+NH4]+ 299.207773 181.9
[M+K]+ 320.137108 169.6
[M+H-H2O]+ 264.171210 159.5
[M+HCOO]- 326.172151 190.7
[M+CH3COO]- 340.187801 210.1
[M+Na-2H]- 302.148616 168.5
[M]+ 281.17340142 168.0
[M]- 281.17449858 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.