CID 125301

129026-48-8

Structural Information

Molecular Formula
C21H25NO4
SMILES
CC(CO)(CO)NCC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCCO
InChI
InChI=1S/C21H25NO4/c1-21(13-24,14-25)22-12-19-15-6-2-4-8-17(15)20(26-11-10-23)18-9-5-3-7-16(18)19/h2-9,22-25H,10-14H2,1H3
InChIKey
JPCHHZXQVHSGGC-UHFFFAOYSA-N
Compound name
2-[[10-(2-hydroxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

54
Patents

355.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 183.9
[M+Na]+ 378.16756 190.1
[M-H]- 354.17106 185.1
[M+NH4]+ 373.21216 196.6
[M+K]+ 394.14150 184.7
[M+H-H2O]+ 338.17560 176.5
[M+HCOO]- 400.17654 200.8
[M+CH3COO]- 414.19219 212.4
[M+Na-2H]- 376.15301 191.2
[M]+ 355.17779 187.1
[M]- 355.17889 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe