CID 135497984

402509-44-8

Structural Information

Molecular Formula
C17H17N5O3
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=C(C(=CC=C3)OC)O
InChI
InChI=1S/C17H17N5O3/c1-22-8-4-6-14(22)12-9-13(20-19-12)17(24)21-18-10-11-5-3-7-15(25-2)16(11)23/h3-10,23H,1-2H3,(H,19,20)(H,21,24)/b18-10+
InChIKey
YOJIHZDMXCCNAY-VCHYOVAHSA-N
Compound name
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

339.13315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.140426 176.2
[M+Na]+ 362.122368 184.6
[M-H]- 338.125874 182.9
[M+NH4]+ 357.166973 188.0
[M+K]+ 378.096308 179.8
[M+H-H2O]+ 322.130410 166.3
[M+HCOO]- 384.131351 200.5
[M+CH3COO]- 398.147001 211.4
[M+Na-2H]- 360.107816 177.8
[M]+ 339.13260142 178.8
[M]- 339.13369858 178.8
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.