CID 149718

[2-[[5-[[5-[(3-amino-3-oxo-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-2-oxo-ethyl]-trimethyl-ammonium

Structural Information

Molecular Formula
C20H30N7O4
SMILES
CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)N)C)NC(=O)C[N+](C)(C)C
InChI
InChI=1S/C20H29N7O4/c1-25-11-14(9-15(25)19(30)22-7-6-17(21)28)24-20(31)16-8-13(10-26(16)2)23-18(29)12-27(3,4)5/h8-11H,6-7,12H2,1-5H3,(H4-,21,22,23,24,28,29,30,31)/p+1
InChIKey
AZMWXTMUGPGTLB-UHFFFAOYSA-O
Compound name
[2-[[5-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.23593 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.24321 199.3
[M+Na]+ 455.22515 202.2
[M-H]- 431.22865 206.1
[M+NH4]+ 450.26975 208.7
[M+K]+ 471.19909 195.9
[M+H-H2O]+ 415.23319 192.5
[M+HCOO]- 477.23413 223.2
[M+CH3COO]- 491.24978 235.9
[M+Na-2H]- 453.21060 201.1
[M]+ 432.23538 200.6
[M]- 432.23648 200.6
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.