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 171.1
[M+Na]+ 335.10022 176.4
[M-H]- 311.10372 177.7
[M+NH4]+ 330.14482 184.5
[M+K]+ 351.07416 173.6
[M+H-H2O]+ 295.10826 162.3
[M+HCOO]- 357.10920 195.9
[M+CH3COO]- 371.12485 209.8
[M+Na-2H]- 333.08567 174.6
[M]+ 312.11045 172.7
[M]- 312.11155 172.7
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.