CID 7574

P-isopropoxydiphenylamine

Structural Information

Molecular Formula
C15H17NO
SMILES
CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C15H17NO/c1-12(2)17-15-10-8-14(9-11-15)16-13-6-4-3-5-7-13/h3-12,16H,1-2H3
InChIKey
CVVFFUKULYKOJR-UHFFFAOYSA-N
Compound name
N-phenyl-4-propan-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7629
Patents

227.13101 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.8
[M+Na]+ 250.12023 157.8
[M-H]- 226.12373 158.4
[M+NH4]+ 245.16483 169.4
[M+K]+ 266.09417 154.6
[M+H-H2O]+ 210.12827 144.2
[M+HCOO]- 272.12921 176.2
[M+CH3COO]- 286.14486 193.9
[M+Na-2H]- 248.10568 157.8
[M]+ 227.13046 151.7
[M]- 227.13156 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe