CID 1910825

54574-82-2

Structural Information

Molecular Formula
C22H27NO4
SMILES
CCCCN(CCCC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C22H27NO4/c1-3-5-13-23(14-6-4-2)16-11-12-19(20(24)15-16)21(25)17-9-7-8-10-18(17)22(26)27/h7-12,15,24H,3-6,13-14H2,1-2H3,(H,26,27)
InChIKey
QPNFUBAIQZJEPO-UHFFFAOYSA-N
Compound name
2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

468
Patents

369.194 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.8
[M+Na]+ 392.18322 194.5
[M-H]- 368.18672 195.5
[M+NH4]+ 387.22782 201.7
[M+K]+ 408.15716 191.1
[M+H-H2O]+ 352.19126 182.0
[M+HCOO]- 414.19220 210.1
[M+CH3COO]- 428.20785 221.3
[M+Na-2H]- 390.16867 188.9
[M]+ 369.19345 193.7
[M]- 369.19455 193.7
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

patents stripe