CID 5289529

7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide

Structural Information

Molecular Formula
C16H16N4O3S
SMILES
COC1=C(C2=C(C=CC(=C2)C(=N)N)C=C1)C3=CN(N=C3)S(=O)(=O)C
InChI
InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
InChIKey
KQUXAFOLFXHVQN-UHFFFAOYSA-N
Compound name
7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

344.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10158 178.8
[M+Na]+ 367.08352 189.3
[M-H]- 343.08702 185.0
[M+NH4]+ 362.12812 192.3
[M+K]+ 383.05746 183.9
[M+H-H2O]+ 327.09156 171.1
[M+HCOO]- 389.09250 196.7
[M+CH3COO]- 403.10815 213.8
[M+Na-2H]- 365.06897 182.3
[M]+ 344.09375 183.3
[M]- 344.09485 183.3
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