CID 36274

Procyazine

Structural Information

Molecular Formula
C10H13ClN6
SMILES
CC(C)(C#N)NC1=NC(=NC(=N1)NC2CC2)Cl
InChI
InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
WUZNHSBFPPFULJ-UHFFFAOYSA-N
Compound name
2-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6597
Patents

252.08902 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09630 157.5
[M+Na]+ 275.07824 169.6
[M+NH4]+ 270.12284 161.5
[M+K]+ 291.05218 162.5
[M-H]- 251.08174 158.5
[M+Na-2H]- 273.06369 163.7
[M]+ 252.08847 159.8
[M]- 252.08957 159.8
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