CID 201166

Nsc665901

Structural Information

Molecular Formula
C19H21N3
SMILES
CN(C)C1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3
InChI
InChI=1S/C19H21N3/c1-22(2)14-9-7-13(8-10-14)18-19-16(11-12-20-18)15-5-3-4-6-17(15)21-19/h3-10,18,20-21H,11-12H2,1-2H3
InChIKey
OHXAAMBDNQSPCS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

291.17355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 168.2
[M+Na]+ 314.16277 175.5
[M-H]- 290.16627 172.7
[M+NH4]+ 309.20737 183.8
[M+K]+ 330.13671 168.5
[M+H-H2O]+ 274.17081 159.2
[M+HCOO]- 336.17175 185.6
[M+CH3COO]- 350.18740 178.4
[M+Na-2H]- 312.14822 172.6
[M]+ 291.17300 165.0
[M]- 291.17410 165.0
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

patents stripe