CID 51060146

4-(2-palmitoylcarbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C30H41IN2O3
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C30H41IN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(34)33-32-24-25-20-22-26(23-21-25)36-30(35)27-17-15-16-18-28(27)31/h15-18,20-24H,2-14,19H2,1H3,(H,33,34)/b32-24+
InChIKey
JHVDTQSJAYGVJH-FEZSWGLMSA-N
Compound name
[4-[(E)-(hexadecanoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.2162 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.22348 249.3
[M+Na]+ 627.20542 242.1
[M-H]- 603.20892 246.7
[M+NH4]+ 622.25002 251.1
[M+K]+ 643.17936 242.2
[M+H-H2O]+ 587.21346 233.6
[M+HCOO]- 649.21440 264.7
[M+CH3COO]- 663.23005 254.6
[M+Na-2H]- 625.19087 233.0
[M]+ 604.21565 252.1
[M]- 604.21675 252.1
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

No patent data available for this compound.