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

6
Patents

377.19507 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.202346 192.1
[M+Na]+ 400.184288 192.8
[M-H]- 376.187794 192.9
[M+NH4]+ 395.228893 201.8
[M+K]+ 416.158228 190.7
[M+H-H2O]+ 360.192330 183.2
[M+HCOO]- 422.193271 212.7
[M+CH3COO]- 436.208921 223.6
[M+Na-2H]- 398.169736 190.2
[M]+ 377.19452142 193.1
[M]- 377.19561858 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