CID 15951

Trietazine

Structural Information

Molecular Formula
C9H16ClN5
SMILES
CCNC1=NC(=NC(=N1)Cl)N(CC)CC
InChI
InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKey
HFBWPRKWDIRYNX-UHFFFAOYSA-N
Compound name
6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

13522
Patents

229.10942 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11670 150.1
[M+Na]+ 252.09864 162.5
[M+NH4]+ 247.14324 157.2
[M+K]+ 268.07258 156.0
[M-H]- 228.10214 151.7
[M+Na-2H]- 250.08409 156.7
[M]+ 229.10887 152.4
[M]- 229.10997 152.4
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

patents stripe