CID 136801846

Mfcd30726716

Structural Information

Molecular Formula
C16H21N5O2
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=N\NC(=O)C2=NNC(=C2)C)O
InChI
InChI=1S/C16H21N5O2/c1-4-21(5-2)13-7-6-12(15(22)9-13)10-17-20-16(23)14-8-11(3)18-19-14/h6-10,22H,4-5H2,1-3H3,(H,18,19)(H,20,23)/b17-10-
InChIKey
GDOZRPJUBBRPNX-YVLHZVERSA-N
Compound name
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17681 175.1
[M+Na]+ 338.15875 180.6
[M-H]- 314.16225 179.7
[M+NH4]+ 333.20335 187.9
[M+K]+ 354.13269 177.3
[M+H-H2O]+ 298.16679 165.4
[M+HCOO]- 360.16773 198.9
[M+CH3COO]- 374.18338 214.9
[M+Na-2H]- 336.14420 176.8
[M]+ 315.16898 175.8
[M]- 315.17008 175.8
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.