CID 447018

3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC(=O)N(C)CC1=C(C=CC(=C1)C(=O)N(C)CC2=CC3=CC=CC=C3N2C)N
InChI
InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3
InChIKey
AWTBJNJPBKTHEV-UHFFFAOYSA-N
Compound name
3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(1-methylindol-2-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

378.20557 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 194.4
[M+Na]+ 401.19479 200.7
[M-H]- 377.19829 203.6
[M+NH4]+ 396.23939 208.1
[M+K]+ 417.16873 198.0
[M+H-H2O]+ 361.20283 184.8
[M+HCOO]- 423.20377 218.8
[M+CH3COO]- 437.21942 234.5
[M+Na-2H]- 399.18024 193.7
[M]+ 378.20502 198.8
[M]- 378.20612 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe