CID 6479807

2-naphthalenecarboxamide, 6-(aminoiminomethyl)-n-[3-(cyclopentyloxy)phenyl]-4-[(1e)-3-methyl-1-butenyl]-

Structural Information

Molecular Formula
C28H31N3O2
SMILES
CC(C)/C=C/C1=C2C=C(C=CC2=CC(=C1)C(=O)NC3=CC(=CC=C3)OC4CCCC4)C(=N)N
InChI
InChI=1S/C28H31N3O2/c1-18(2)10-11-19-14-22(15-20-12-13-21(27(29)30)16-26(19)20)28(32)31-23-6-5-9-25(17-23)33-24-7-3-4-8-24/h5-6,9-18,24H,3-4,7-8H2,1-2H3,(H3,29,30)(H,31,32)/b11-10+
InChIKey
KQSAEKXSCNGOGX-ZHACJKMWSA-N
Compound name
6-carbamimidoyl-N-(3-cyclopentyloxyphenyl)-4-[(E)-3-methylbut-1-enyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.24164 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.24892 209.6
[M+Na]+ 464.23086 211.0
[M-H]- 440.23436 218.4
[M+NH4]+ 459.27546 219.5
[M+K]+ 480.20480 204.9
[M+H-H2O]+ 424.23890 199.8
[M+HCOO]- 486.23984 228.3
[M+CH3COO]- 500.25549 240.6
[M+Na-2H]- 462.21631 205.7
[M]+ 441.24109 204.9
[M]- 441.24219 204.9
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.