CID 621404

20772-80-9

Structural Information

Molecular Formula
C18H15NO
SMILES
CC1=CC(=CC=C1)N=CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H15NO/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20/h2-12,20H,1H3
InChIKey
KPOSMMCBBUZMRX-UHFFFAOYSA-N
Compound name
1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

261.11536 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.122636 159.1
[M+Na]+ 284.104578 167.7
[M-H]- 260.108084 167.1
[M+NH4]+ 279.149183 176.7
[M+K]+ 300.078518 162.1
[M+H-H2O]+ 244.112620 151.1
[M+HCOO]- 306.113561 183.4
[M+CH3COO]- 320.129211 171.8
[M+Na-2H]- 282.090026 166.5
[M]+ 261.11481142 159.4
[M]- 261.11590858 159.4
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