CID 90806131

N-me-atz

Structural Information

Molecular Formula
C9H16ClN5
SMILES
CCN(C)C1=NC(=NC(=N1)NC(C)C)Cl
InChI
InChI=1S/C9H16ClN5/c1-5-15(4)9-13-7(10)12-8(14-9)11-6(2)3/h6H,5H2,1-4H3,(H,11,12,13,14)
InChIKey
NNVVYJFVPGRWIB-UHFFFAOYSA-N
Compound name
6-chloro-2-N-ethyl-2-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

229.10942 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11670 151.7
[M+Na]+ 252.09864 160.0
[M-H]- 228.10214 152.8
[M+NH4]+ 247.14324 167.1
[M+K]+ 268.07258 157.4
[M+H-H2O]+ 212.10668 143.4
[M+HCOO]- 274.10762 169.2
[M+CH3COO]- 288.12327 199.6
[M+Na-2H]- 250.08409 157.0
[M]+ 229.10887 155.0
[M]- 229.10997 155.0
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.