CID 21861

4-isopropyl-n-phenylaniline

Structural Information

Molecular Formula
C15H17N
SMILES
CC(C)C1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12,16H,1-2H3
InChIKey
HKQBGDOVZRQTMC-UHFFFAOYSA-N
Compound name
N-phenyl-4-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

211.1361 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 148.3
[M+Na]+ 234.125318 154.3
[M-H]- 210.128824 154.8
[M+NH4]+ 229.169923 166.6
[M+K]+ 250.099258 150.6
[M+H-H2O]+ 194.133360 140.9
[M+HCOO]- 256.134301 172.4
[M+CH3COO]- 270.149951 191.9
[M+Na-2H]- 232.110766 154.3
[M]+ 211.13555142 146.8
[M]- 211.13664858 146.8
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

No patent data available for this compound.