CID 216036

Gamma-phenyl-n,n,gamma-trimethylbenzenepropanamine (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C18H23N
SMILES
CC(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H23N/c1-18(14-15-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKey
CXYWSFCXUNNRKJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3,3-diphenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
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 161.9
[M+Na]+ 276.17226 166.6
[M-H]- 252.17576 169.2
[M+NH4]+ 271.21686 179.0
[M+K]+ 292.14620 163.4
[M+H-H2O]+ 236.18030 153.9
[M+HCOO]- 298.18124 184.9
[M+CH3COO]- 312.19689 202.8
[M+Na-2H]- 274.15771 168.1
[M]+ 253.18249 162.5
[M]- 253.18359 162.5
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

patents stripe