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

76
Patents

453.29913 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.30641 216.7
[M+Na]+ 476.28835 224.3
[M+NH4]+ 471.33295 220.5
[M+K]+ 492.26229 219.1
[M-H]- 452.29185 219.5
[M+Na-2H]- 474.27380 221.1
[M]+ 453.29858 218.3
[M]- 453.29968 218.3
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

patents stripe