CID 64807

Verdantiol

Structural Information

Molecular Formula
C22H27NO2
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)C=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C22H27NO2/c1-16(14-17-10-12-18(13-11-17)22(2,3)4)15-23-20-9-7-6-8-19(20)21(24)25-5/h6-13,15-16H,14H2,1-5H3
InChIKey
RBAUBIIMPLZNGC-UHFFFAOYSA-N
Compound name
methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

337.2042 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 184.4
[M+Na]+ 360.19342 189.5
[M-H]- 336.19692 192.0
[M+NH4]+ 355.23802 198.5
[M+K]+ 376.16736 186.2
[M+H-H2O]+ 320.20146 176.0
[M+HCOO]- 382.20240 205.9
[M+CH3COO]- 396.21805 218.2
[M+Na-2H]- 358.17887 186.0
[M]+ 337.20365 187.8
[M]- 337.20475 187.8
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