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]+ 340.14043 176.2
[M+Na]+ 362.12237 184.6
[M-H]- 338.12587 182.9
[M+NH4]+ 357.16697 188.0
[M+K]+ 378.09631 179.8
[M+H-H2O]+ 322.13041 166.3
[M+HCOO]- 384.13135 200.5
[M+CH3COO]- 398.14700 211.4
[M+Na-2H]- 360.10782 177.8
[M]+ 339.13260 178.8
[M]- 339.13370 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.