CID 199951

Brn 0627751

Structural Information

Molecular Formula
C17H24N6O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCC3=NC(=NC(=N3)OC)N
InChI
InChI=1S/C17H24N6O/c1-13-3-5-14(6-4-13)23-11-9-22(10-12-23)8-7-15-19-16(18)21-17(20-15)24-2/h3-6H,7-12H2,1-2H3,(H2,18,19,20,21)
InChIKey
XYOAGSKMMUCLSA-UHFFFAOYSA-N
Compound name
4-methoxy-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

328.20117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20845 184.4
[M+Na]+ 351.19039 190.8
[M-H]- 327.19389 186.3
[M+NH4]+ 346.23499 190.6
[M+K]+ 367.16433 184.5
[M+H-H2O]+ 311.19843 171.4
[M+HCOO]- 373.19937 198.2
[M+CH3COO]- 387.21502 191.9
[M+Na-2H]- 349.17584 186.8
[M]+ 328.20062 181.2
[M]- 328.20172 181.2
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.