CID 9630699

767335-90-0

Structural Information

Molecular Formula
C27H35N3O4
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C27H35N3O4/c1-3-4-5-6-7-8-9-13-25(31)28-20-26(32)30-29-19-22-14-16-24(17-15-22)34-27(33)23-12-10-11-21(2)18-23/h10-12,14-19H,3-9,13,20H2,1-2H3,(H,28,31)(H,30,32)/b29-19+
InChIKey
QEPDTOZUUGXNAB-VUTHCHCSSA-N
Compound name
[4-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.26276 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.270036 218.8
[M+Na]+ 488.251978 219.2
[M-H]- 464.255484 224.7
[M+NH4]+ 483.296583 226.0
[M+K]+ 504.225918 215.3
[M+H-H2O]+ 448.260020 207.5
[M+HCOO]- 510.260961 241.7
[M+CH3COO]- 524.276611 245.7
[M+Na-2H]- 486.237426 216.8
[M]+ 465.26221142 223.3
[M]- 465.26330858 223.3
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.