CID 116005

Brn 0027166

Structural Information

Molecular Formula
C11H21N5O3
SMILES
CCOC1=NC(=NC(=N1)NC(C)(C)O)NC(C)(C)O
InChI
InChI=1S/C11H21N5O3/c1-6-19-9-13-7(15-10(2,3)17)12-8(14-9)16-11(4,5)18/h17-18H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKey
ATCMIRSRKVLMPP-UHFFFAOYSA-N
Compound name
2-[[4-ethoxy-6-(2-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16443 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17171 162.4
[M+Na]+ 294.15365 170.1
[M+NH4]+ 289.19825 165.7
[M+K]+ 310.12759 168.5
[M-H]- 270.15715 159.9
[M+Na-2H]- 292.13910 165.5
[M]+ 271.16388 162.4
[M]- 271.16498 162.4
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.