CID 176472608

2-[2-[4-[ethyl(2-phenylethyl)amino]phenyl]hydrazinyl]-5-nitrosobenzoic acid

Structural Information

Molecular Formula
C23H24N4O3
SMILES
CCN(CCC1=CC=CC=C1)C2=CC=C(C=C2)NNC3=C(C=C(C=C3)N=O)C(=O)O
InChI
InChI=1S/C23H24N4O3/c1-2-27(15-14-17-6-4-3-5-7-17)20-11-8-18(9-12-20)24-25-22-13-10-19(26-30)16-21(22)23(28)29/h3-13,16,24-25H,2,14-15H2,1H3,(H,28,29)
InChIKey
AKAUEYOVMRIQFB-UHFFFAOYSA-N
Compound name
2-[2-[4-[ethyl(2-phenylethyl)amino]phenyl]hydrazinyl]-5-nitrosobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.18484 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.192116 195.9
[M+Na]+ 427.174058 198.8
[M-H]- 403.177564 206.3
[M+NH4]+ 422.218663 205.0
[M+K]+ 443.147998 195.5
[M+H-H2O]+ 387.182100 184.3
[M+HCOO]- 449.183041 222.7
[M+CH3COO]- 463.198691 237.6
[M+Na-2H]- 425.159506 199.7
[M]+ 404.18429142 197.1
[M]- 404.18538858 197.1
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.