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 182.7
[M+Na]+ 384.10672 188.3
[M-H]- 360.11022 190.9
[M+NH4]+ 379.15132 195.8
[M+K]+ 400.08066 184.5
[M+H-H2O]+ 344.11476 173.3
[M+HCOO]- 406.11570 208.8
[M+CH3COO]- 420.13135 225.5
[M+Na-2H]- 382.09217 186.2
[M]+ 361.11695 182.5
[M]- 361.11805 182.5
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.