CID 3047789

Neraminol

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CC1=C(C(=CC=C1)C)NCCNCC(COC2=CC=CC3=C2C=NN3)O
InChI
InChI=1S/C20H26N4O2/c1-14-5-3-6-15(2)20(14)22-10-9-21-11-16(25)13-26-19-8-4-7-18-17(19)12-23-24-18/h3-8,12,16,21-22,25H,9-11,13H2,1-2H3,(H,23,24)
InChIKey
QKSHPHAGYABOBC-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dimethylanilino)ethylamino]-3-(1H-indazol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

98
Patents

354.20557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.212846 183.6
[M+Na]+ 377.194788 189.2
[M-H]- 353.198294 186.1
[M+NH4]+ 372.239393 194.7
[M+K]+ 393.168728 183.1
[M+H-H2O]+ 337.202830 174.0
[M+HCOO]- 399.203771 203.7
[M+CH3COO]- 413.219421 216.2
[M+Na-2H]- 375.180236 187.3
[M]+ 354.20502142 185.1
[M]- 354.20611858 185.1
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