CID 176519213

Einecs 288-967-7

Structural Information

Molecular Formula
C19H15N5O3
SMILES
CNC(=O)C(=C=N)C1=C2C=CC=CC2=C(N1)N=NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C19H15N5O3/c1-21-18(26)14(10-20)16-11-6-2-3-7-12(11)17(22-16)23-24-19(27)13-8-4-5-9-15(13)25/h2-9,20,22,25H,1H3,(H,21,26)
InChIKey
IOVKQUAMCDLHPJ-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[[3-[1-imino-3-(methylamino)-3-oxoprop-1-en-2-yl]-2H-isoindol-1-yl]imino]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

361.1175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12478 182.1
[M+Na]+ 384.10672 188.1
[M-H]- 360.11022 189.3
[M+NH4]+ 379.15132 194.5
[M+K]+ 400.08066 183.4
[M+H-H2O]+ 344.11476 172.8
[M+HCOO]- 406.11570 208.0
[M+CH3COO]- 420.13135 223.8
[M+Na-2H]- 382.09217 186.1
[M]+ 361.11695 181.5
[M]- 361.11805 181.5
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.