CID 13986

Bunamidine

Structural Information

Molecular Formula
C25H38N2O
SMILES
CCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CCCC)CCCC
InChI
InChI=1S/C25H38N2O/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3
InChIKey
FGGFIMIICGZCCJ-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

21
References

2097
Patents

382.2984 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.30568 202.2
[M+Na]+ 405.28762 204.1
[M-H]- 381.29112 205.8
[M+NH4]+ 400.33222 215.0
[M+K]+ 421.26156 199.5
[M+H-H2O]+ 365.29566 192.7
[M+HCOO]- 427.29660 222.9
[M+CH3COO]- 441.31225 233.5
[M+Na-2H]- 403.27307 202.1
[M]+ 382.29785 206.9
[M]- 382.29895 206.9
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