CID 9909468

Dmp 696

Structural Information

Molecular Formula
C18H21Cl2N5O2
SMILES
CC1=NN2C(=C1C3=C(C=C(C=C3)Cl)Cl)N=C(N=C2NC(COC)COC)C
InChI
InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
InChIKey
MDWRPTOUDPFXKK-UHFFFAOYSA-N
Compound name
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

148
Patents

409.10724 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11452 194.5
[M+Na]+ 432.09646 210.4
[M+NH4]+ 427.14106 200.7
[M+K]+ 448.07040 204.1
[M-H]- 408.09996 196.9
[M+Na-2H]- 430.08191 200.5
[M]+ 409.10669 198.1
[M]- 409.10779 198.1
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