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

5449
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 158.8
[M+Na]+ 282.10922 166.3
[M-H]- 258.11272 158.2
[M+NH4]+ 277.15382 172.2
[M+K]+ 298.08316 162.7
[M+H-H2O]+ 242.11726 150.3
[M+HCOO]- 304.11820 175.7
[M+CH3COO]- 318.13385 201.3
[M+Na-2H]- 280.09467 164.3
[M]+ 259.11945 162.5
[M]- 259.12055 162.5
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