CID 44757

N,n-diisopentyl-4-methoxy-1-naphthamidine hydrochloride

Structural Information

Molecular Formula
C22H32N2O
SMILES
CC(C)CCN(CCC(C)C)C(=N)C1=CC=C(C2=CC=CC=C21)OC
InChI
InChI=1S/C22H32N2O/c1-16(2)12-14-24(15-13-17(3)4)22(23)20-10-11-21(25-5)19-9-7-6-8-18(19)20/h6-11,16-17,23H,12-15H2,1-5H3
InChIKey
IZWDJDUCJLUGAA-UHFFFAOYSA-N
Compound name
4-methoxy-N,N-bis(3-methylbutyl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.25146 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.25874 189.1
[M+Na]+ 363.24068 191.8
[M-H]- 339.24418 193.6
[M+NH4]+ 358.28528 203.6
[M+K]+ 379.21462 189.1
[M+H-H2O]+ 323.24872 180.7
[M+HCOO]- 385.24966 208.9
[M+CH3COO]- 399.26531 226.5
[M+Na-2H]- 361.22613 188.3
[M]+ 340.25091 191.6
[M]- 340.25201 191.6
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