CID 9574619

N-[(z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyleneamino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C22H17Cl2N5
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)Cl)Cl)/C=N\N=C(\C4=CC=CC=N4)/N
InChI
InChI=1S/C22H17Cl2N5/c23-17-9-8-15(19(24)11-17)13-29-14-16(18-5-1-2-7-21(18)29)12-27-28-22(25)20-6-3-4-10-26-20/h1-12,14H,13H2,(H2,25,28)/b27-12-
InChIKey
QCRQBLQBDDOLDG-PPDIBHTLSA-N
Compound name
N'-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.0861 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09338 201.9
[M+Na]+ 444.07532 211.8
[M-H]- 420.07882 211.3
[M+NH4]+ 439.11992 213.4
[M+K]+ 460.04926 202.6
[M+H-H2O]+ 404.08336 190.6
[M+HCOO]- 466.08430 218.7
[M+CH3COO]- 480.09995 211.5
[M+Na-2H]- 442.06077 205.0
[M]+ 421.08555 207.0
[M]- 421.08665 207.0
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

No patent data available for this compound.