CID 176472524

2-[2-[4-[(3-amino-3-oxopropyl)-(2-phenylethyl)amino]phenyl]hydrazinyl]-5-nitrosobenzamide

Structural Information

Molecular Formula
C24H26N6O3
SMILES
C1=CC=C(C=C1)CCN(CCC(=O)N)C2=CC=C(C=C2)NNC3=C(C=C(C=C3)N=O)C(=O)N
InChI
InChI=1S/C24H26N6O3/c25-23(31)13-15-30(14-12-17-4-2-1-3-5-17)20-9-6-18(7-10-20)27-28-22-11-8-19(29-33)16-21(22)24(26)32/h1-11,16,27-28H,12-15H2,(H2,25,31)(H2,26,32)
InChIKey
VPAMSFULTLUKFU-UHFFFAOYSA-N
Compound name
2-[2-[4-[(3-amino-3-oxopropyl)-(2-phenylethyl)amino]phenyl]hydrazinyl]-5-nitrosobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.20663 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.213906 204.8
[M+Na]+ 469.195848 205.9
[M-H]- 445.199354 215.2
[M+NH4]+ 464.240453 211.4
[M+K]+ 485.169788 203.4
[M+H-H2O]+ 429.203890 192.4
[M+HCOO]- 491.204831 232.5
[M+CH3COO]- 505.220481 252.8
[M+Na-2H]- 467.181296 206.8
[M]+ 446.20608142 203.6
[M]- 446.20717858 203.6
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.