CID 92544

Benzenamine, 4-isononyl-n-phenyl-

Structural Information

Molecular Formula
C21H29N
SMILES
CC(C)CCCCCCC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C21H29N/c1-18(2)10-6-3-4-7-11-19-14-16-21(17-15-19)22-20-12-8-5-9-13-20/h5,8-9,12-18,22H,3-4,6-7,10-11H2,1-2H3
InChIKey
PDIHTZXJDBPERH-UHFFFAOYSA-N
Compound name
4-(7-methyloctyl)-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.23 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.23728 176.0
[M+Na]+ 318.21922 179.3
[M-H]- 294.22272 181.2
[M+NH4]+ 313.26382 190.7
[M+K]+ 334.19316 174.1
[M+H-H2O]+ 278.22726 167.2
[M+HCOO]- 340.22820 197.9
[M+CH3COO]- 354.24385 209.9
[M+Na-2H]- 316.20467 178.6
[M]+ 295.22945 176.5
[M]- 295.23055 176.5
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.