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

90
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 215.5
[M+Na]+ 476.28835 216.8
[M-H]- 452.29185 220.9
[M+NH4]+ 471.33295 223.2
[M+K]+ 492.26229 213.6
[M+H-H2O]+ 436.29639 206.1
[M+HCOO]- 498.29733 234.1
[M+CH3COO]- 512.31298 246.1
[M+Na-2H]- 474.27380 215.8
[M]+ 453.29858 218.5
[M]- 453.29968 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