CID 486629

85645-27-8

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1C2=C(CCN1N=O)C3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C13H15N3O2/c1-8-13-11(5-6-16(8)15-17)10-4-3-9(18-2)7-12(10)14-13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKey
NPWLMIGFSUJVOK-UHFFFAOYSA-N
Compound name
7-methoxy-1-methyl-2-nitroso-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

245.11642 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 152.9
[M+Na]+ 268.10564 163.2
[M-H]- 244.10914 156.4
[M+NH4]+ 263.15024 171.9
[M+K]+ 284.07958 159.3
[M+H-H2O]+ 228.11368 145.3
[M+HCOO]- 290.11462 174.1
[M+CH3COO]- 304.13027 165.7
[M+Na-2H]- 266.09109 159.2
[M]+ 245.11587 155.2
[M]- 245.11697 155.2
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