CID 72141

Tolpropamine

Structural Information

Molecular Formula
C18H23N
SMILES
CC1=CC=C(C=C1)C(CCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
InChIKey
CINROOONPHQHPO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(4-methylphenyl)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

888
Patents

253.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.19032 162.3
[M+Na]+ 276.17226 167.2
[M-H]- 252.17576 169.7
[M+NH4]+ 271.21686 179.5
[M+K]+ 292.14620 164.1
[M+H-H2O]+ 236.18030 154.1
[M+HCOO]- 298.18124 185.9
[M+CH3COO]- 312.19689 204.4
[M+Na-2H]- 274.15771 165.9
[M]+ 253.18249 163.1
[M]- 253.18359 163.1
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