CID 9639436

765285-35-6

Structural Information

Molecular Formula
C19H19N5O3
SMILES
CN(C)C1=CC=C(C=C1)C2=NN=CN2/N=C/C3=CC=CC=C3OCC(=O)O
InChI
InChI=1S/C19H19N5O3/c1-23(2)16-9-7-14(8-10-16)19-22-20-13-24(19)21-11-15-5-3-4-6-17(15)27-12-18(25)26/h3-11,13H,12H2,1-2H3,(H,25,26)/b21-11+
InChIKey
PXKPLGZOMZYJIG-SRZZPIQSSA-N
Compound name
2-[2-[(E)-[3-[4-(dimethylamino)phenyl]-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1488 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15608 184.8
[M+Na]+ 388.13802 191.2
[M-H]- 364.14152 192.6
[M+NH4]+ 383.18262 194.3
[M+K]+ 404.11196 187.6
[M+H-H2O]+ 348.14606 173.0
[M+HCOO]- 410.14700 208.1
[M+CH3COO]- 424.16265 222.4
[M+Na-2H]- 386.12347 187.5
[M]+ 365.14825 188.4
[M]- 365.14935 188.4
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.