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 211.2
[M+Na]+ 508.15914 217.7
[M-H]- 484.16264 220.7
[M+NH4]+ 503.20374 220.4
[M+K]+ 524.13308 214.0
[M+H-H2O]+ 468.16718 202.8
[M+HCOO]- 530.16812 230.9
[M+CH3COO]- 544.18377 219.6
[M+Na-2H]- 506.14459 208.4
[M]+ 485.16937 217.1
[M]- 485.17047 217.1
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.