CID 5487088

3-[[(2r)-1-methyl-2-pyrrolidinyl]methyl]-n-(3-nitro-2-pyridinyl)-1h-indol-5-amine

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]
InChI
InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKey
YPFIYPNOWVPAPR-OAHLLOKOSA-N
Compound name
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

34
Patents

351.16953 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 179.2
[M+Na]+ 374.15875 184.6
[M-H]- 350.16225 185.6
[M+NH4]+ 369.20335 190.4
[M+K]+ 390.13269 174.3
[M+H-H2O]+ 334.16679 173.4
[M+HCOO]- 396.16773 199.5
[M+CH3COO]- 410.18338 207.5
[M+Na-2H]- 372.14420 183.4
[M]+ 351.16898 175.5
[M]- 351.17008 175.5
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