CID 199955

Brn 0575053

Structural Information

Molecular Formula
C18H26N6O
SMILES
CCOC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H26N6O/c1-3-25-18-21-16(20-17(19)22-18)8-9-23-10-12-24(13-11-23)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H2,19,20,21,22)
InChIKey
XECPDSLZKJXZAE-UHFFFAOYSA-N
Compound name
4-ethoxy-6-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.2168 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22408 188.5
[M+Na]+ 365.20602 194.4
[M-H]- 341.20952 190.2
[M+NH4]+ 360.25062 194.1
[M+K]+ 381.17996 187.9
[M+H-H2O]+ 325.21406 175.3
[M+HCOO]- 387.21500 202.0
[M+CH3COO]- 401.23065 195.5
[M+Na-2H]- 363.19147 190.4
[M]+ 342.21625 185.7
[M]- 342.21735 185.7
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.