CID 101920481

Rh-2651

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)
InChIKey
LAARFOZSARYPMO-UHFFFAOYSA-N
Compound name
4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 187.6
[M+Na]+ 391.16282 192.1
[M-H]- 367.16632 194.5
[M+NH4]+ 386.20742 199.3
[M+K]+ 407.13676 190.6
[M+H-H2O]+ 351.17086 179.6
[M+HCOO]- 413.17180 207.6
[M+CH3COO]- 427.18745 223.9
[M+Na-2H]- 389.14827 187.2
[M]+ 368.17305 189.3
[M]- 368.17415 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.