CID 154699815

Ns00117546

Structural Information

Molecular Formula
C9H16ClN5O
SMILES
CC(NC1=NC(=NC(=N1)Cl)NC(C)(C)C)O
InChI
InChI=1S/C9H16ClN5O/c1-5(16)11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5,16H,1-4H3,(H2,11,12,13,14,15)
InChIKey
NHBGKDZTEJYFPM-UHFFFAOYSA-N
Compound name
1-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11162 156.6
[M+Na]+ 268.09356 164.6
[M-H]- 244.09706 155.4
[M+NH4]+ 263.13816 170.1
[M+K]+ 284.06750 160.8
[M+H-H2O]+ 228.10160 149.3
[M+HCOO]- 290.10254 170.7
[M+CH3COO]- 304.11819 195.6
[M+Na-2H]- 266.07901 162.7
[M]+ 245.10379 157.4
[M]- 245.10489 157.4
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

No patent data available for this compound.