CID 86261450

303106-88-9

Structural Information

Molecular Formula
C19H14N6O3
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H14N6O3/c26-19(24-21-11-13-10-20-16-7-2-1-6-15(13)16)18-9-17(22-23-18)12-4-3-5-14(8-12)25(27)28/h1-11,20H,(H,22,23)(H,24,26)/b21-11+
InChIKey
CFBPMYCYBVPRIP-SRZZPIQSSA-N
Compound name
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11273 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12001 179.1
[M+Na]+ 397.10195 184.5
[M-H]- 373.10545 186.3
[M+NH4]+ 392.14655 188.6
[M+K]+ 413.07589 174.2
[M+H-H2O]+ 357.10999 173.1
[M+HCOO]- 419.11093 202.8
[M+CH3COO]- 433.12658 210.6
[M+Na-2H]- 395.08740 186.4
[M]+ 374.11218 176.3
[M]- 374.11328 176.3
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.