CID 3063258

Rd 1427

Structural Information

Molecular Formula
C22H22N3
SMILES
CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
InChI
InChI=1S/C22H21N3/c1-2-12-25-21-14-17(24)9-11-19(21)18-10-8-16(23)13-20(18)22(25)15-6-4-3-5-7-15/h3-11,13-14,24H,2,12,23H2,1H3/p+1
InChIKey
BUCOIVOBKAAFAK-UHFFFAOYSA-O
Compound name
6-phenyl-5-propylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.18137 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18865 182.6
[M+Na]+ 351.17059 191.8
[M-H]- 327.17409 189.6
[M+NH4]+ 346.21519 196.2
[M+K]+ 367.14453 178.3
[M+H-H2O]+ 311.17863 175.3
[M+HCOO]- 373.17957 203.8
[M+CH3COO]- 387.19522 211.6
[M+Na-2H]- 349.15604 191.0
[M]+ 328.18082 181.4
[M]- 328.18192 181.4
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

patents stripe