CID 24844806

95835-28-2

Structural Information

Molecular Formula
C21H19N6O
SMILES
CC1=C2C=CN=C(C2=CC3=C1NC4=C3C=C(C=C4)OC)C5=[N+](N5)C6=NCCN6
InChI
InChI=1S/C21H18N6O/c1-11-13-5-6-22-19(20-26-27(20)21-23-7-8-24-21)15(13)10-16-14-9-12(28-2)3-4-17(14)25-18(11)16/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,24,25,26)/p+1
InChIKey
KDRNXVNFLQXTIN-UHFFFAOYSA-O
Compound name
1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.16205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16933 195.5
[M+Na]+ 394.15127 209.6
[M-H]- 370.15477 199.2
[M+NH4]+ 389.19587 200.0
[M+K]+ 410.12521 192.2
[M+H-H2O]+ 354.15931 188.7
[M+HCOO]- 416.16025 208.7
[M+CH3COO]- 430.17590 203.3
[M+Na-2H]- 392.13672 200.0
[M]+ 371.16150 198.0
[M]- 371.16260 198.0
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.