CID 71988

Lamtidine

Structural Information

Molecular Formula
C18H28N6O
SMILES
CN1C(=NC(=N1)N)NCCCOC2=CC=CC(=C2)CN3CCCCC3
InChI
InChI=1S/C18H28N6O/c1-23-18(21-17(19)22-23)20-9-6-12-25-16-8-5-7-15(13-16)14-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H3,19,20,21,22)
InChIKey
NRIGRKAXOLMTSK-UHFFFAOYSA-N
Compound name
1-methyl-5-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

719
Patents

344.23245 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.239726 182.9
[M+Na]+ 367.221668 186.7
[M-H]- 343.225174 186.0
[M+NH4]+ 362.266273 191.2
[M+K]+ 383.195608 181.3
[M+H-H2O]+ 327.229710 170.5
[M+HCOO]- 389.230651 200.0
[M+CH3COO]- 403.246301 216.5
[M+Na-2H]- 365.207116 183.8
[M]+ 344.23190142 179.6
[M]- 344.23299858 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe