CID 4937

Propazine

Structural Information

Molecular Formula
C9H16ClN5
SMILES
CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C
InChI
InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKey
WJNRPILHGGKWCK-UHFFFAOYSA-N
Compound name
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

135
References

18259
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 150.7
[M+Na]+ 252.09864 162.1
[M+NH4]+ 247.14324 157.3
[M+K]+ 268.07258 156.8
[M-H]- 228.10214 151.6
[M+Na-2H]- 250.08409 156.2
[M]+ 229.10887 152.6
[M]- 229.10997 152.6
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