CID 135425021

3-nitro-n'-(1h-pyrrol-2-ylmethylene)benzohydrazide

Structural Information

Molecular Formula
C12H10N4O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C/C2=CC=CN2
InChI
InChI=1S/C12H10N4O3/c17-12(15-14-8-10-4-2-6-13-10)9-3-1-5-11(7-9)16(18)19/h1-8,13H,(H,15,17)/b14-8+
InChIKey
FUPAWSGZKUYSQL-RIYZIHGNSA-N
Compound name
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

258.0753 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08258 153.2
[M+Na]+ 281.06452 158.1
[M-H]- 257.06802 158.8
[M+NH4]+ 276.10912 168.3
[M+K]+ 297.03846 150.9
[M+H-H2O]+ 241.07256 149.1
[M+HCOO]- 303.07350 180.4
[M+CH3COO]- 317.08915 190.3
[M+Na-2H]- 279.04997 160.7
[M]+ 258.07475 149.5
[M]- 258.07585 149.5
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.