CID 9555879

Nsc647119

Structural Information

Molecular Formula
C18H30N5O2
SMILES
C/C(=N\NC(=O)C[N+](C)(C)C)/C(CN(C)C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C18H29N5O2/c1-14(20-21-17(24)13-23(4,5)6)16(12-22(2)3)18(25)19-15-10-8-7-9-11-15/h7-11,16H,12-13H2,1-6H3,(H-,19,21,24,25)/p+1/b20-14+
InChIKey
RRZSYXWJRYGDBN-XSFVSMFZSA-O
Compound name
[2-[(2E)-2-[4-anilino-3-[(dimethylamino)methyl]-4-oxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23996 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24724 183.1
[M+Na]+ 371.22918 183.4
[M-H]- 347.23268 189.7
[M+NH4]+ 366.27378 196.1
[M+K]+ 387.20312 179.0
[M+H-H2O]+ 331.23722 176.8
[M+HCOO]- 393.23816 208.1
[M+CH3COO]- 407.25381 227.3
[M+Na-2H]- 369.21463 187.3
[M]+ 348.23941 183.0
[M]- 348.24051 183.0
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.