CID 176472529

2-[2-[4-(diethylamino)phenyl]hydrazinyl]-5-nitrosobenzoic acid

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CCN(CC)C1=CC=C(C=C1)NNC2=C(C=C(C=C2)N=O)C(=O)O
InChI
InChI=1S/C17H20N4O3/c1-3-21(4-2)14-8-5-12(6-9-14)18-19-16-10-7-13(20-24)11-15(16)17(22)23/h5-11,18-19H,3-4H2,1-2H3,(H,22,23)
InChIKey
WAHOCMPMMOTZDU-UHFFFAOYSA-N
Compound name
2-[2-[4-(diethylamino)phenyl]hydrazinyl]-5-nitrosobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15353 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.160806 175.9
[M+Na]+ 351.142748 180.4
[M-H]- 327.146254 183.9
[M+NH4]+ 346.187353 188.8
[M+K]+ 367.116688 178.7
[M+H-H2O]+ 311.150790 166.1
[M+HCOO]- 373.151731 203.6
[M+CH3COO]- 387.167381 223.9
[M+Na-2H]- 349.128196 179.9
[M]+ 328.15298142 177.7
[M]- 328.15407858 177.7
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.