CID 3013466

Schembl5849686

Structural Information

Molecular Formula
C19H15ClN4O2
SMILES
C1=CC(=CC(=C1)Cl)CN2C3=C(C=C(C=C3)N)C4=CC(=NC=C42)C(=O)NO
InChI
InChI=1S/C19H15ClN4O2/c20-12-3-1-2-11(6-12)10-24-17-5-4-13(21)7-14(17)15-8-16(19(25)23-26)22-9-18(15)24/h1-9,26H,10,21H2,(H,23,25)
InChIKey
CLCSLLWLWMDGCG-UHFFFAOYSA-N
Compound name
6-amino-9-[(3-chlorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

366.08835 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09563 183.4
[M+Na]+ 389.07757 194.3
[M-H]- 365.08107 188.8
[M+NH4]+ 384.12217 196.7
[M+K]+ 405.05151 186.5
[M+H-H2O]+ 349.08561 175.0
[M+HCOO]- 411.08655 200.0
[M+CH3COO]- 425.10220 193.8
[M+Na-2H]- 387.06302 187.9
[M]+ 366.08780 186.9
[M]- 366.08890 186.9
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

patents stripe