CID 99869

10509-86-1

Structural Information

Molecular Formula
C18H23N
SMILES
CC(CC1=CC=CC=C1)NC(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H23N/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3
InChIKey
XIZFJFZATSHCAL-UHFFFAOYSA-N
Compound name
1-phenyl-N-(1-phenylpropan-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

253.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.19032 162.8
[M+Na]+ 276.17226 166.2
[M-H]- 252.17576 168.4
[M+NH4]+ 271.21686 178.9
[M+K]+ 292.14620 162.2
[M+H-H2O]+ 236.18030 154.6
[M+HCOO]- 298.18124 184.8
[M+CH3COO]- 312.19689 200.6
[M+Na-2H]- 274.15771 166.6
[M]+ 253.18249 161.3
[M]- 253.18359 161.3
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