CID 5466723

Nsc641832

Structural Information

Molecular Formula
C22H38N5O2
SMILES
CCN(CC)CC(/C(=N/NC(=O)C[N+](C)(C)C)/C)C(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C22H37N5O2/c1-9-26(10-2)14-19(18(5)24-25-20(28)15-27(6,7)8)22(29)23-21-16(3)12-11-13-17(21)4/h11-13,19H,9-10,14-15H2,1-8H3,(H-,23,25,28,29)/p+1/b24-18+
InChIKey
RPMYPUJLESTHHA-HKOYGPOVSA-O
Compound name
[2-[(2E)-2-[3-(diethylaminomethyl)-4-(2,6-dimethylanilino)-4-oxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.30255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.30983 201.1
[M+Na]+ 427.29177 201.5
[M-H]- 403.29527 207.7
[M+NH4]+ 422.33637 212.4
[M+K]+ 443.26571 196.4
[M+H-H2O]+ 387.29981 194.7
[M+HCOO]- 449.30075 224.7
[M+CH3COO]- 463.31640 241.5
[M+Na-2H]- 425.27722 202.0
[M]+ 404.30200 203.1
[M]- 404.30310 203.1
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.