CID 110640

5285-60-9

Structural Information

Molecular Formula
C21H30N2
SMILES
CCC(C)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(C)CC
InChI
InChI=1S/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3
InChIKey
YZZTZUHVGICSCS-UHFFFAOYSA-N
Compound name
N-butan-2-yl-4-[[4-(butan-2-ylamino)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2344
Patents

310.2409 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.248176 180.2
[M+Na]+ 333.230118 183.3
[M-H]- 309.233624 185.9
[M+NH4]+ 328.274723 194.2
[M+K]+ 349.204058 178.7
[M+H-H2O]+ 293.238160 171.4
[M+HCOO]- 355.239101 202.2
[M+CH3COO]- 369.254751 216.8
[M+Na-2H]- 331.215566 181.3
[M]+ 310.24035142 179.8
[M]- 310.24144858 179.8
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