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 166.1
[M+Na]+ 294.15365 172.3
[M-H]- 270.15715 163.6
[M+NH4]+ 289.19825 176.8
[M+K]+ 310.12759 170.2
[M+H-H2O]+ 254.16169 158.4
[M+HCOO]- 316.16263 182.4
[M+CH3COO]- 330.17828 200.3
[M+Na-2H]- 292.13910 173.5
[M]+ 271.16388 166.8
[M]- 271.16498 166.8
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.