CID 876870

306755-70-4

Structural Information

Molecular Formula
C16H21N5O2
SMILES
CCN(CC)C1=CC(=C(C=C1)C=NNC(=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)
InChIKey
GDOZRPJUBBRPNX-UHFFFAOYSA-N
Compound name
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.16953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.176806 175.1
[M+Na]+ 338.158748 180.6
[M-H]- 314.162254 179.7
[M+NH4]+ 333.203353 187.9
[M+K]+ 354.132688 177.3
[M+H-H2O]+ 298.166790 165.4
[M+HCOO]- 360.167731 198.9
[M+CH3COO]- 374.183381 214.9
[M+Na-2H]- 336.144196 176.8
[M]+ 315.16898142 175.8
[M]- 315.17007858 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

patents stripe