CID 24738

Cyprazine

Structural Information

Molecular Formula
C9H14ClN5
SMILES
CC(C)NC1=NC(=NC(=N1)NC2CC2)Cl
InChI
InChI=1S/C9H14ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
OOHIAOSLOGDBCE-UHFFFAOYSA-N
Compound name
6-chloro-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3
References

10325
Patents

227.09378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10106 154.4
[M+Na]+ 250.08300 164.0
[M-H]- 226.08650 157.7
[M+NH4]+ 245.12760 164.2
[M+K]+ 266.05694 158.2
[M+H-H2O]+ 210.09104 145.7
[M+HCOO]- 272.09198 172.2
[M+CH3COO]- 286.10763 197.4
[M+Na-2H]- 248.06845 160.1
[M]+ 227.09323 157.1
[M]- 227.09433 157.1
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.