CID 135547154

302918-25-8

Structural Information

Molecular Formula
C16H14BrN5O2
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C16H14BrN5O2/c1-22-6-2-3-14(22)12-8-13(20-19-12)16(24)21-18-9-10-7-11(17)4-5-15(10)23/h2-9,23H,1H3,(H,19,20)(H,21,24)/b18-9+
InChIKey
ZJZDWBMDIPWEIB-GIJQJNRQSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

387.03308 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.04036 177.5
[M+Na]+ 410.02230 189.0
[M-H]- 386.02580 186.5
[M+NH4]+ 405.06690 191.4
[M+K]+ 425.99624 175.9
[M+H-H2O]+ 370.03034 174.0
[M+HCOO]- 432.03128 199.5
[M+CH3COO]- 446.04693 190.0
[M+Na-2H]- 408.00775 180.6
[M]+ 387.03253 196.7
[M]- 387.03363 196.7
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.