CID 55905

89022-10-6

Structural Information

Molecular Formula
C17H14N4O2
SMILES
C1=CC2=C(C(=C1)OC(=O)C3=CC=C(C=C3)N=C(N)N)N=CC=C2
InChI
InChI=1S/C17H14N4O2/c18-17(19)21-13-8-6-12(7-9-13)16(22)23-14-5-1-3-11-4-2-10-20-15(11)14/h1-10H,(H4,18,19,21)
InChIKey
NMSDAYXPBQAAGR-UHFFFAOYSA-N
Compound name
quinolin-8-yl 4-(diaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11894 168.8
[M+Na]+ 329.10088 175.1
[M-H]- 305.10438 175.5
[M+NH4]+ 324.14548 182.0
[M+K]+ 345.07482 171.0
[M+H-H2O]+ 289.10892 159.1
[M+HCOO]- 351.10986 192.7
[M+CH3COO]- 365.12551 213.2
[M+Na-2H]- 327.08633 174.9
[M]+ 306.11111 166.9
[M]- 306.11221 166.9
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.