CID 11380

Chlorazine

Structural Information

Molecular Formula
C11H20ClN5
SMILES
CCN(CC)C1=NC(=NC(=N1)Cl)N(CC)CC
InChI
InChI=1S/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3
InChIKey
QHXDTLYEHWXDSO-UHFFFAOYSA-N
Compound name
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17467
References

4233
Patents

257.14072 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14800 160.4
[M+Na]+ 280.12994 168.2
[M-H]- 256.13344 162.5
[M+NH4]+ 275.17454 175.3
[M+K]+ 296.10388 166.0
[M+H-H2O]+ 240.13798 151.3
[M+HCOO]- 302.13892 178.7
[M+CH3COO]- 316.15457 208.2
[M+Na-2H]- 278.11539 165.1
[M]+ 257.14017 166.2
[M]- 257.14127 166.2
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

No patent data available for this compound.