CID 9570767

Stirocainide fumarate

Structural Information

Molecular Formula
C22H34N2O
SMILES
CC(C)N(CCO/N=C/1\CCCCC\C1=C/C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-16-25-23-22-14-10-6-9-13-21(22)17-20-11-7-5-8-12-20/h5,7-8,11-12,17-19H,6,9-10,13-16H2,1-4H3/b21-17+,23-22+
InChIKey
VIHOHTOSUXOBSD-SZVLODPRSA-N
Compound name
N-[2-[(E)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18
Patents

342.26712 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.27440 185.4
[M+Na]+ 365.25634 184.2
[M-H]- 341.25984 193.4
[M+NH4]+ 360.30094 198.0
[M+K]+ 381.23028 186.7
[M+H-H2O]+ 325.26438 177.1
[M+HCOO]- 387.26532 204.8
[M+CH3COO]- 401.28097 223.9
[M+Na-2H]- 363.24179 183.5
[M]+ 342.26657 180.8
[M]- 342.26767 180.8
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