CID 5277374

Ethyl n-[7-(benzhydrylamino)-2-(4-methoxyphenyl)-3h-pyrrolo[2,3-c]pyridin-5-yl]carbamate

Structural Information

Molecular Formula
C30H28N4O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)CC(=N2)C3=CC=C(C=C3)OC)NC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H28N4O3/c1-3-37-30(35)33-26-19-23-18-25(20-14-16-24(36-2)17-15-20)31-28(23)29(32-26)34-27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19,27H,3,18H2,1-2H3,(H2,32,33,34,35)
InChIKey
MDCDSNZJSXFANS-UHFFFAOYSA-N
Compound name
ethyl N-[7-(benzhydrylamino)-2-(4-methoxyphenyl)-3H-pyrrolo[2,3-c]pyridin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.21616 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.22344 218.5
[M+Na]+ 515.20538 222.1
[M-H]- 491.20888 229.0
[M+NH4]+ 510.24998 223.5
[M+K]+ 531.17932 216.0
[M+H-H2O]+ 475.21342 205.3
[M+HCOO]- 537.21436 237.9
[M+CH3COO]- 551.23001 225.2
[M+Na-2H]- 513.19083 219.7
[M]+ 492.21561 220.1
[M]- 492.21671 220.1
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.