CID 3451295

86551-61-3

Structural Information

Molecular Formula
C27H39N3O3
SMILES
CCC(C(=O)NC1=CC=C(C=C1)NNC=O)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C27H39N3O3/c1-8-23(25(32)29-20-12-14-21(15-13-20)30-28-18-31)33-24-16-11-19(26(4,5)9-2)17-22(24)27(6,7)10-3/h11-18,23,30H,8-10H2,1-7H3,(H,28,31)(H,29,32)
InChIKey
OECVCYPIABDSEN-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-formylhydrazinyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

453.29913 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.306406 215.5
[M+Na]+ 476.288348 216.8
[M-H]- 452.291854 220.9
[M+NH4]+ 471.332953 223.2
[M+K]+ 492.262288 213.6
[M+H-H2O]+ 436.296390 206.1
[M+HCOO]- 498.297331 234.1
[M+CH3COO]- 512.312981 246.1
[M+Na-2H]- 474.273796 215.8
[M]+ 453.29858142 218.5
[M]- 453.29967858 218.5
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