CID 207172

M-isophthalotoluidide, 4-hydroxy-

Structural Information

Molecular Formula
C22H20N2O3
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3)C
InChI
InChI=1S/C22H20N2O3/c1-14-5-3-7-17(11-14)23-21(26)16-9-10-20(25)19(13-16)22(27)24-18-8-4-6-15(2)12-18/h3-13,25H,1-2H3,(H,23,26)(H,24,27)
InChIKey
PAINAUSHDJWLKF-UHFFFAOYSA-N
Compound name
4-hydroxy-1-N,3-N-bis(3-methylphenyl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1474 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15468 188.5
[M+Na]+ 383.13662 202.1
[M+NH4]+ 378.18122 195.1
[M+K]+ 399.11056 194.8
[M-H]- 359.14012 195.1
[M+Na-2H]- 381.12207 197.7
[M]+ 360.14685 192.2
[M]- 360.14795 192.2
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.