CID 12190698

847654-16-4

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CCCCN(CCCC)CC(=O)NC1=CC=CC=C1C(=NCC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C25H33N3O3/c1-3-5-16-28(17-6-4-2)19-23(29)27-22-15-11-10-14-21(22)25(26-18-24(30)31)20-12-8-7-9-13-20/h7-15H,3-6,16-19H2,1-2H3,(H,27,29)(H,30,31)
InChIKey
YZBAPKQCJHXWKS-UHFFFAOYSA-N
Compound name
2-[[[2-[[2-(dibutylamino)acetyl]amino]phenyl]-phenylmethylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 208.4
[M+Na]+ 446.24142 208.3
[M-H]- 422.24492 214.4
[M+NH4]+ 441.28602 217.1
[M+K]+ 462.21536 205.2
[M+H-H2O]+ 406.24946 197.6
[M+HCOO]- 468.25040 230.7
[M+CH3COO]- 482.26605 239.3
[M+Na-2H]- 444.22687 206.9
[M]+ 423.25165 210.8
[M]- 423.25275 210.8
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.