CID 212815

Niosh/cy8445350

Structural Information

Molecular Formula
C18H32N2
SMILES
CC(C)NC(C)CC1=CC=C(C=C1)CC(C)NC(C)C
InChI
InChI=1S/C18H32N2/c1-13(2)19-15(5)11-17-7-9-18(10-8-17)12-16(6)20-14(3)4/h7-10,13-16,19-20H,11-12H2,1-6H3
InChIKey
IDICEMBVUONJDR-UHFFFAOYSA-N
Compound name
N-propan-2-yl-1-[4-[2-(propan-2-ylamino)propyl]phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.25656 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.26384 175.2
[M+Na]+ 299.24578 176.9
[M-H]- 275.24928 177.5
[M+NH4]+ 294.29038 190.6
[M+K]+ 315.21972 174.8
[M+H-H2O]+ 259.25382 167.6
[M+HCOO]- 321.25476 194.6
[M+CH3COO]- 335.27041 212.9
[M+Na-2H]- 297.23123 173.2
[M]+ 276.25601 174.6
[M]- 276.25711 174.6
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.