CID 779516

Oprea1_434421

Structural Information

Molecular Formula
C9H16ClN5O
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)(C)CO
InChI
InChI=1S/C9H16ClN5O/c1-4-11-7-12-6(10)13-8(14-7)15-9(2,3)5-16/h16H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
QMTYNRYLLIJMHR-UHFFFAOYSA-N
Compound name
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11162 156.5
[M+Na]+ 268.09356 164.6
[M-H]- 244.09706 155.0
[M+NH4]+ 263.13816 169.9
[M+K]+ 284.06750 160.3
[M+H-H2O]+ 228.10160 149.0
[M+HCOO]- 290.10254 171.5
[M+CH3COO]- 304.11819 195.4
[M+Na-2H]- 266.07901 163.7
[M]+ 245.10379 157.9
[M]- 245.10489 157.9
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.