CID 3810841

300730-97-6

Structural Information

Molecular Formula
C19H27N3O5
SMILES
CCCCCCCCC(=O)NNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C19H27N3O5/c1-2-3-4-5-6-7-12-16(23)21-22-18(25)13-17(24)20-15-11-9-8-10-14(15)19(26)27/h8-11H,2-7,12-13H2,1H3,(H,20,24)(H,21,23)(H,22,25)(H,26,27)
InChIKey
JGQSMIXMDYGTAS-UHFFFAOYSA-N
Compound name
2-[[3-(2-nonanoylhydrazinyl)-3-oxopropanoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

377.19507 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20235 192.1
[M+Na]+ 400.18429 192.8
[M-H]- 376.18779 192.9
[M+NH4]+ 395.22889 201.8
[M+K]+ 416.15823 190.7
[M+H-H2O]+ 360.19233 183.2
[M+HCOO]- 422.19327 212.7
[M+CH3COO]- 436.20892 223.6
[M+Na-2H]- 398.16974 190.2
[M]+ 377.19452 193.1
[M]- 377.19562 193.1
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

patents stripe