CID 32000

Brn 2858440

Structural Information

Molecular Formula
C18H15ClN2
SMILES
CC1=C(C=C(C=C1)N=C(C2=CC=CC3=CC=CC=C32)N)Cl
InChI
InChI=1S/C18H15ClN2/c1-12-9-10-14(11-17(12)19)21-18(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H2,20,21)
InChIKey
DSDCTCSOEAAPNH-UHFFFAOYSA-N
Compound name
N'-(3-chloro-4-methylphenyl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.09238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09966 168.4
[M+Na]+ 317.08160 177.1
[M-H]- 293.08510 176.7
[M+NH4]+ 312.12620 185.6
[M+K]+ 333.05554 170.2
[M+H-H2O]+ 277.08964 160.7
[M+HCOO]- 339.09058 188.7
[M+CH3COO]- 353.10623 180.4
[M+Na-2H]- 315.06705 173.7
[M]+ 294.09183 169.3
[M]- 294.09293 169.3
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.