CID 135449594

1-((4h-1,2,4-triazol-4-ylimino)methyl)-2-naphthol

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/N3C=NN=C3)O
InChI
InChI=1S/C13H10N4O/c18-13-6-5-10-3-1-2-4-11(10)12(13)7-16-17-8-14-15-9-17/h1-9,18H/b16-7+
InChIKey
AHWSQQXCPSZAGS-FRKPEAEDSA-N
Compound name
1-[(E)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

238.08546 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.092736 150.4
[M+Na]+ 261.074678 161.2
[M-H]- 237.078184 155.0
[M+NH4]+ 256.119283 166.6
[M+K]+ 277.048618 155.9
[M+H-H2O]+ 221.082720 140.9
[M+HCOO]- 283.083661 174.6
[M+CH3COO]- 297.099311 163.3
[M+Na-2H]- 259.060126 159.5
[M]+ 238.08491142 152.4
[M]- 238.08600858 152.4
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

No patent data available for this compound.