CID 5272101

Chembl325477

Structural Information

Molecular Formula
C18H14N4O
SMILES
CN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=CC=C4)NC=O
InChI
InChI=1S/C18H14N4O/c1-22-14-10-6-5-9-13(14)16-17(22)15(12-7-3-2-4-8-12)18(19-11-23)21-20-16/h2-11H,1H3,(H,19,21,23)
InChIKey
JOSXXXJMUQWEKS-UHFFFAOYSA-N
Compound name
N-(5-methyl-4-phenylpyridazino[4,3-b]indol-3-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.11676 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 170.1
[M+Na]+ 325.10598 181.5
[M-H]- 301.10948 175.8
[M+NH4]+ 320.15058 184.7
[M+K]+ 341.07992 174.4
[M+H-H2O]+ 285.11402 159.9
[M+HCOO]- 347.11496 192.0
[M+CH3COO]- 361.13061 181.9
[M+Na-2H]- 323.09143 177.6
[M]+ 302.11621 173.2
[M]- 302.11731 173.2
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

No patent data available for this compound.