CID 219118

Heptaverine

Structural Information

Molecular Formula
C18H25N
SMILES
CN(C)CCC(=C1CC2CCC1C2)C3=CC=CC=C3
InChI
InChI=1S/C18H25N/c1-19(2)11-10-17(15-6-4-3-5-7-15)18-13-14-8-9-16(18)12-14/h3-7,14,16H,8-13H2,1-2H3
InChIKey
YZIDXWNNAXTCQH-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]heptanylidene)-N,N-dimethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

255.1987 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.205976 166.6
[M+Na]+ 278.187918 170.1
[M-H]- 254.191424 172.9
[M+NH4]+ 273.232523 188.6
[M+K]+ 294.161858 166.6
[M+H-H2O]+ 238.195960 159.9
[M+HCOO]- 300.196901 187.1
[M+CH3COO]- 314.212551 202.7
[M+Na-2H]- 276.173366 165.7
[M]+ 255.19815142 164.4
[M]- 255.19924858 164.4
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.