CID 5274518

Methanimidamide, n'-[4-(3-cyano-2,4a,5,9b-tetrahydro-5-methyl-2-oxo-1h-pyrido[3,2-b]indol-1-yl)phenyl]-n,n-dimethyl-

Structural Information

Molecular Formula
C22H21N5O
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)N=CN(C)C)C#N
InChI
InChI=1S/C22H21N5O/c1-25(2)14-24-16-8-10-17(11-9-16)27-21-18-6-4-5-7-19(18)26(3)20(21)12-15(13-23)22(27)28/h4-12,14,20-21H,1-3H3
InChIKey
CIMCFJMFDXVDRP-UHFFFAOYSA-N
Compound name
N'-[4-(3-cyano-5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17462 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18190 193.5
[M+Na]+ 394.16384 203.8
[M-H]- 370.16734 199.2
[M+NH4]+ 389.20844 205.6
[M+K]+ 410.13778 195.0
[M+H-H2O]+ 354.17188 176.4
[M+HCOO]- 416.17282 210.0
[M+CH3COO]- 430.18847 201.6
[M+Na-2H]- 392.14929 193.9
[M]+ 371.17407 189.4
[M]- 371.17517 189.4
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

No patent data available for this compound.