CID 103047

4-heptyldiphenylamine

Structural Information

Molecular Formula
C19H25N
SMILES
CCCCCCCC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C19H25N/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)20-18-11-8-6-9-12-18/h6,8-9,11-16,20H,2-5,7,10H2,1H3
InChIKey
FHJMSDCQQHIAFG-UHFFFAOYSA-N
Compound name
4-heptyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

267.1987 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.20598 166.1
[M+Na]+ 290.18792 170.7
[M-H]- 266.19142 171.7
[M+NH4]+ 285.23252 182.1
[M+K]+ 306.16186 165.4
[M+H-H2O]+ 250.19596 157.7
[M+HCOO]- 312.19690 189.8
[M+CH3COO]- 326.21255 203.1
[M+Na-2H]- 288.17337 171.1
[M]+ 267.19815 166.6
[M]- 267.19925 166.6
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