CID 3519704

63345-17-5

Structural Information

Molecular Formula
C23H23N7O4S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)CCCN=C(N)N
InChI
InChI=1S/C23H23N7O4S/c24-23(25)26-12-3-13-35(33,34)29-16-8-6-15(7-9-16)27-22-18-4-1-2-5-20(18)28-21-14-17(30(31)32)10-11-19(21)22/h1-2,4-11,14,29H,3,12-13H2,(H,27,28)(H4,24,25,26)
InChIKey
ZBXXIEYBGSMVKQ-UHFFFAOYSA-N
Compound name
2-[3-[[4-[(3-nitroacridin-9-yl)amino]phenyl]sulfamoyl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

493.15323 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.16051 199.8
[M+Na]+ 516.14245 202.4
[M-H]- 492.14595 206.0
[M+NH4]+ 511.18705 204.6
[M+K]+ 532.11639 192.8
[M+H-H2O]+ 476.15049 193.2
[M+HCOO]- 538.15143 219.1
[M+CH3COO]- 552.16708 245.1
[M+Na-2H]- 514.12790 212.4
[M]+ 493.15268 198.9
[M]- 493.15378 198.9
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.