CID 9693402

(4-(2-(2-methylbenzoyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C17H16N2O4
SMILES
CC1=CC=CC=C1C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C17H16N2O4/c1-12-4-2-3-5-15(12)17(22)19-18-10-13-6-8-14(9-7-13)23-11-16(20)21/h2-10H,11H2,1H3,(H,19,22)(H,20,21)/b18-10+
InChIKey
HVWJUMINXYYMDQ-VCHYOVAHSA-N
Compound name
2-[4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 172.6
[M+Na]+ 335.10022 183.6
[M+NH4]+ 330.14482 178.3
[M+K]+ 351.07416 177.8
[M-H]- 311.10372 176.0
[M+Na-2H]- 333.08567 179.5
[M]+ 312.11045 174.8
[M]- 312.11155 174.8
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.

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No patent data available for this compound.