CID 101522359

1040393-13-2

Structural Information

Molecular Formula
C26H23N5O5
SMILES
CN1C=C(C=C1C(=O)NC2=CN(C(=N2)C(=O)O)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23N5O5/c1-30-12-15(11-21(30)24(32)29-22-13-31(2)23(28-22)25(33)34)27-26(35)36-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-13,20H,14H2,1-2H3,(H,27,35)(H,29,32)(H,33,34)
InChIKey
RPAFQKJNIISOHV-UHFFFAOYSA-N
Compound name
4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.16992 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.17720 213.7
[M+Na]+ 508.15914 223.6
[M+NH4]+ 503.20374 217.3
[M+K]+ 524.13308 225.3
[M-H]- 484.16264 216.7
[M+Na-2H]- 506.14459 217.5
[M]+ 485.16937 215.4
[M]- 485.17047 215.4
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.