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

17462
References

4440
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

literature stripe

Patent stripe

patents stripe