CID 3032414

Mesoprazine

Structural Information

Molecular Formula
C10H18ClN5O
SMILES
CC(C)NC1=NC(=NC(=N1)NCCCOC)Cl
InChI
InChI=1S/C10H18ClN5O/c1-7(2)13-10-15-8(11)14-9(16-10)12-5-4-6-17-3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
PMYBBBROJPQQQV-UHFFFAOYSA-N
Compound name
6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5183
Patents

259.12 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12728 157.7
[M+Na]+ 282.10922 168.8
[M+NH4]+ 277.15382 163.7
[M+K]+ 298.08316 163.0
[M-H]- 258.11272 158.3
[M+Na-2H]- 280.09467 162.9
[M]+ 259.11945 159.4
[M]- 259.12055 159.4
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

patents stripe