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

literature stripe

Patent stripe

patents stripe