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
2
Annotation Hits

0
References

2554
Patents

310.2409 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 180.2
[M+Na]+ 333.23012 183.3
[M-H]- 309.23362 185.9
[M+NH4]+ 328.27472 194.2
[M+K]+ 349.20406 178.7
[M+H-H2O]+ 293.23816 171.4
[M+HCOO]- 355.23910 202.2
[M+CH3COO]- 369.25475 216.8
[M+Na-2H]- 331.21557 181.3
[M]+ 310.24035 179.8
[M]- 310.24145 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