CID 535405

2-{[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino}ethanol

Structural Information

Molecular Formula
C9H16ClN5O
SMILES
CC(C)(C)NC1=NC(=NC(=N1)NCCO)Cl
InChI
InChI=1S/C9H16ClN5O/c1-9(2,3)15-8-13-6(10)12-7(14-8)11-4-5-16/h16H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
PSSHJZZCOUUSID-UHFFFAOYSA-N
Compound name
2-[[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

1
Patents

245.10434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.111616 156.8
[M+Na]+ 268.093558 165.1
[M-H]- 244.097064 155.4
[M+NH4]+ 263.138163 170.3
[M+K]+ 284.067498 160.8
[M+H-H2O]+ 228.101600 149.4
[M+HCOO]- 290.102541 171.9
[M+CH3COO]- 304.118191 194.7
[M+Na-2H]- 266.079006 164.0
[M]+ 245.10379142 158.2
[M]- 245.10488858 158.2
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

patents stripe