CID 56603766

Dmp-695/696

Structural Information

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

0
References

0
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 194.2
[M+Na]+ 432.09646 205.9
[M-H]- 408.09996 196.9
[M+NH4]+ 427.14106 204.2
[M+K]+ 448.07040 199.1
[M+H-H2O]+ 392.10450 184.1
[M+HCOO]- 454.10544 204.1
[M+CH3COO]- 468.12109 226.3
[M+Na-2H]- 430.08191 195.1
[M]+ 409.10669 204.3
[M]- 409.10779 204.3
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.