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]+ 239.09274 150.4
[M+Na]+ 261.07468 161.2
[M-H]- 237.07818 155.0
[M+NH4]+ 256.11928 166.6
[M+K]+ 277.04862 155.9
[M+H-H2O]+ 221.08272 140.9
[M+HCOO]- 283.08366 174.6
[M+CH3COO]- 297.09931 163.3
[M+Na-2H]- 259.06013 159.5
[M]+ 238.08491 152.4
[M]- 238.08601 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.