CID 9669400

Akos024424974

Structural Information

Molecular Formula
C21H17N5O2
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=NNC(=C3)C(=O)N/N=C/C4=CC=NC=C4
InChI
InChI=1S/C21H17N5O2/c1-28-19-7-6-15-4-2-3-5-16(15)20(19)17-12-18(25-24-17)21(27)26-23-13-14-8-10-22-11-9-14/h2-13H,1H3,(H,24,25)(H,26,27)/b23-13+
InChIKey
MYENCUYRBCTVAX-YDZHTSKRSA-N
Compound name
3-(2-methoxynaphthalen-1-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1382 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14548 185.8
[M+Na]+ 394.12742 193.8
[M-H]- 370.13092 193.3
[M+NH4]+ 389.17202 195.5
[M+K]+ 410.10136 186.9
[M+H-H2O]+ 354.13546 174.2
[M+HCOO]- 416.13640 208.7
[M+CH3COO]- 430.15205 195.6
[M+Na-2H]- 392.11287 192.1
[M]+ 371.13765 187.5
[M]- 371.13875 187.5
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.