CID 2864280

2,6-ditert-butyl-4-(2,3-dihydro-1h-perimidin-2-yl)phenol

Structural Information

Molecular Formula
C25H30N2O
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C25H30N2O/c1-24(2,3)17-13-16(14-18(22(17)28)25(4,5)6)23-26-19-11-7-9-15-10-8-12-20(27-23)21(15)19/h7-14,23,26-28H,1-6H3
InChIKey
WBSRWPYIVUJCCR-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(2,3-dihydro-1H-perimidin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

374.2358 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24308 201.1
[M+Na]+ 397.22502 207.3
[M-H]- 373.22852 201.9
[M+NH4]+ 392.26962 211.2
[M+K]+ 413.19896 199.4
[M+H-H2O]+ 357.23306 192.4
[M+HCOO]- 419.23400 207.7
[M+CH3COO]- 433.24965 218.0
[M+Na-2H]- 395.21047 204.6
[M]+ 374.23525 198.1
[M]- 374.23635 198.1
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

patents stripe