CID 9638797

4-(2-tetradecanoylcarbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C30H42N2O5
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C30H42N2O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-29(33)32-31-23-24-16-19-26(20-17-24)37-30(34)25-18-21-27(35-2)28(22-25)36-3/h16-23H,4-15H2,1-3H3,(H,32,33)/b31-23+
InChIKey
RPZHOBUNQYFVTB-UQRQXUALSA-N
Compound name
[4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.3094 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.31668 232.0
[M+Na]+ 533.29862 232.5
[M-H]- 509.30212 237.5
[M+NH4]+ 528.34322 237.9
[M+K]+ 549.27256 228.6
[M+H-H2O]+ 493.30666 220.1
[M+HCOO]- 555.30760 253.7
[M+CH3COO]- 569.32325 252.9
[M+Na-2H]- 531.28407 228.5
[M]+ 510.30885 241.4
[M]- 510.30995 241.4
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.