CID 205958

Dalbraminol

Structural Information

Molecular Formula
C17H26N4O2
SMILES
CC1=C(C(=NN1C)C)NCCNCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C17H26N4O2/c1-13-17(14(2)21(3)20-13)19-10-9-18-11-15(22)12-23-16-7-5-4-6-8-16/h4-8,15,18-19,22H,9-12H2,1-3H3
InChIKey
CRKZWPJRHFAGCJ-UHFFFAOYSA-N
Compound name
1-phenoxy-3-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

86
Patents

318.20557 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.212846 177.0
[M+Na]+ 341.194788 182.1
[M-H]- 317.198294 179.7
[M+NH4]+ 336.239393 189.3
[M+K]+ 357.168728 178.2
[M+H-H2O]+ 301.202830 167.4
[M+HCOO]- 363.203771 198.5
[M+CH3COO]- 377.219421 212.2
[M+Na-2H]- 339.180236 178.3
[M]+ 318.20502142 179.0
[M]- 318.20611858 179.0
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

patents stripe