CID 216036

Benzenepropanamine, gamma-phenyl-n,n,gamma-trimethyl-, (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

102
Patents

253.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.190316 161.9
[M+Na]+ 276.172258 166.6
[M-H]- 252.175764 169.2
[M+NH4]+ 271.216863 179.0
[M+K]+ 292.146198 163.4
[M+H-H2O]+ 236.180300 153.9
[M+HCOO]- 298.181241 184.9
[M+CH3COO]- 312.196891 202.8
[M+Na-2H]- 274.157706 168.1
[M]+ 253.18249142 162.5
[M]- 253.18358858 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