CID 176472598

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

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CCN(CCC1=CC=CC=C1)C2=CC=C(C=C2)NNC3=C(C=C(C=C3)N=O)C(=O)N
InChI
InChI=1S/C23H25N5O2/c1-2-28(15-14-17-6-4-3-5-7-17)20-11-8-18(9-12-20)25-26-22-13-10-19(27-30)16-21(22)23(24)29/h3-13,16,25-26H,2,14-15H2,1H3,(H2,24,29)
InChIKey
CKJCVKWFIFVFDS-UHFFFAOYSA-N
Compound name
2-[2-[4-[ethyl(2-phenylethyl)amino]phenyl]hydrazinyl]-5-nitrosobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20084 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.208116 196.3
[M+Na]+ 426.190058 199.0
[M-H]- 402.193564 207.5
[M+NH4]+ 421.234663 205.6
[M+K]+ 442.163998 195.7
[M+H-H2O]+ 386.198100 184.4
[M+HCOO]- 448.199041 224.8
[M+CH3COO]- 462.214691 242.4
[M+Na-2H]- 424.175506 200.1
[M]+ 403.20029142 196.4
[M]- 403.20138858 196.4
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.