CID 135764954

Einecs 288-967-7

Structural Information

Molecular Formula
C19H15N5O3
SMILES
CNC(=O)C(=C1C2=CC=CC=C2C(=N1)N=NC(=O)C3=CC=CC=C3O)C=N
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/h2-10,20,25H,1H3,(H,21,26)
InChIKey
YGMHQKIWNCIKCK-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[3-[3-imino-1-(methylamino)-1-oxopropan-2-ylidene]isoindol-1-yl]iminobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

361.1175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12478 184.0
[M+Na]+ 384.10672 192.7
[M+NH4]+ 379.15132 188.6
[M+K]+ 400.08066 189.5
[M-H]- 360.11022 187.5
[M+Na-2H]- 382.09217 189.3
[M]+ 361.11695 185.5
[M]- 361.11805 185.5
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.