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

literature stripe

Patent stripe

patents stripe