CID 130928

Ucb-11056

Structural Information

Molecular Formula
C12H21N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCCO
InChI
InChI=1S/C12H21N5O2/c1-2-3-10-14-11(13-4-7-18)16-12(15-10)17-5-8-19-9-6-17/h18H,2-9H2,1H3,(H,13,14,15,16)
InChIKey
NERMEVBNTXXDNG-UHFFFAOYSA-N
Compound name
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

23
Patents

267.16953 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17681 165.9
[M+Na]+ 290.15875 170.9
[M-H]- 266.16225 165.5
[M+NH4]+ 285.20335 174.2
[M+K]+ 306.13269 168.0
[M+H-H2O]+ 250.16679 154.9
[M+HCOO]- 312.16773 180.1
[M+CH3COO]- 326.18338 197.1
[M+Na-2H]- 288.14420 171.0
[M]+ 267.16898 163.6
[M]- 267.17008 163.6
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