CID 199986

Brn 0628623

Structural Information

Molecular Formula
C16H21ClN6O
SMILES
COC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H21ClN6O/c1-24-16-20-14(19-15(18)21-16)6-7-22-8-10-23(11-9-22)13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3,(H2,18,19,20,21)
InChIKey
HQZOUSHNEDKXKT-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.14655 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15383 182.7
[M+Na]+ 371.13577 197.4
[M+NH4]+ 366.18037 188.7
[M+K]+ 387.10971 189.8
[M-H]- 347.13927 186.5
[M+Na-2H]- 369.12122 190.7
[M]+ 348.14600 186.0
[M]- 348.14710 186.0
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.