CID 207063

P-isophthalotoluidide, 4-hydroxy-

Structural Information

Molecular Formula
C22H20N2O3
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C
InChI
InChI=1S/C22H20N2O3/c1-14-3-8-17(9-4-14)23-21(26)16-7-12-20(25)19(13-16)22(27)24-18-10-5-15(2)6-11-18/h3-13,25H,1-2H3,(H,23,26)(H,24,27)
InChIKey
BEGOMLIQRFSCHS-UHFFFAOYSA-N
Compound name
4-hydroxy-1-N,3-N-bis(4-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 186.6
[M+Na]+ 383.13662 192.1
[M-H]- 359.14012 195.3
[M+NH4]+ 378.18122 197.5
[M+K]+ 399.11056 187.2
[M+H-H2O]+ 343.14466 177.0
[M+HCOO]- 405.14560 208.9
[M+CH3COO]- 419.16125 219.7
[M+Na-2H]- 381.12207 188.1
[M]+ 360.14685 185.6
[M]- 360.14795 185.6
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.