CID 12004418

Bit225

Structural Information

Molecular Formula
C16H15N5O
SMILES
CN1C=C(C=N1)C2=CC=CC3=C2C=CC(=C3)C(=O)N=C(N)N
InChI
InChI=1S/C16H15N5O/c1-21-9-12(8-19-21)13-4-2-3-10-7-11(5-6-14(10)13)15(22)20-16(17)18/h2-9H,1H3,(H4,17,18,20,22)
InChIKey
WVROWPPEIMRGAB-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-5-(1-methylpyrazol-4-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

889
Patents

293.12766 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13494 167.2
[M+Na]+ 316.11688 175.8
[M-H]- 292.12038 173.8
[M+NH4]+ 311.16148 182.1
[M+K]+ 332.09082 171.1
[M+H-H2O]+ 276.12492 157.8
[M+HCOO]- 338.12586 192.3
[M+CH3COO]- 352.14151 178.8
[M+Na-2H]- 314.10233 171.4
[M]+ 293.12711 166.8
[M]- 293.12821 166.8
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.